cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.14272/sgzvalpmxjpjgd-vegfvyewsa-l.1
title: C82H54N8O4Pd2
title: InChI=1S/C82H56N8O4.2Pd/c1-3-93-81(91)54-28-24-52(25-29-54)77-60-34-32-56(83-60)48-57-33-35-61(84-57)78(53-26-30-55(31-27-53)82(92)94-4-2)69-43-47-73(90-69)80(72-46-42-68(77)89-72)59-23-15-14-22-58(59)79-70-44-40-66(87-70)75(50-18-10-6-11-19-50)64-38-36-62(85-64)74(49-16-8-5-9-17-49)63-37-39-65(86-63)76(51-20-12-7-13-21-51)67-41-45-71(79)88-67;;/h5-48H,3-4H2,1-2H3,(H2-2,83,84,85,86,87,88,89,90,91,92);;/q-2;2*+2/p-2/b56-48-,57-48-,74-62-,74-63-,75-64-,75-66-,76-65-,76-67-,77-60-,77-68-,78-61-,78-69-,79-70-,79-71-,80-72-,80-73-;;

description: This dataset contains experimental data from a sample (InChI=1S/C82H56N8O4.2Pd/c1-3-93-81(91)54-28-24-52(25-29-54)77-60-34-32-56(83-60)48-57-33-35-61(84-57)78(53-26-30-55(31-27-53)82(92)94-4-2)69-43-47-73(90-69)80(72-46-42-68(77)89-72)59-23-15-14-22-58(59)79-70-44-40-66(87-70)75(50-18-10-6-11-19-50)64-38-36-62(85-64)74(49-16-8-5-9-17-49)63-37-39-65(86-63)76(51-20-12-7-13-21-51)67-41-45-71(79)88-67;;/h5-48H,3-4H2,1-2H3,(H2-2,83,84,85,86,87,88,89,90,91,92);;/q-2;2*+2/p-2/b56-48-,57-48-,74-62-,74-63-,75-64-,75-66-,76-65-,76-67-,77-60-,77-68-,78-61-,78-69-,79-70-,79-71-,80-72-,80-73-;;). The datasets from the following experiments are available: infrared absorption spectroscopy (IR) 13C nuclear magnetic resonance spectroscopy (13C NMR) mass spectrometry (MS) 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/sgzvalpmxjpjgd-vegfvyewsa-l/chmo0000470
title: mass spectrometry (MS) ()
title: InChI=1S/C82H56N8O4.2Pd/c1-3-93-81(91)54-28-24-52(25-29-54)77-60-34-32-56(83-60)48-57-33-35-61(84-57)78(53-26-30-55(31-27-53)82(92)94-4-2)69-43-47-73(90-69)80(72-46-42-68(77)89-72)59-23-15-14-22-58(59)79-70-44-40-66(87-70)75(50-18-10-6-11-19-50)64-38-36-62(85-64)74(49-16-8-5-9-17-49)63-37-39-65(86-63)76(51-20-12-7-13-21-51)67-41-45-71(79)88-67;;/h5-48H,3-4H2,1-2H3,(H2-2,83,84,85,86,87,88,89,90,91,92);;/q-2;2*+2/p-2/b56-48-,57-48-,74-62-,74-63-,75-64-,75-66-,76-65-,76-67-,77-60-,77-68-,78-61-,78-69-,79-70-,79-71-,80-72-,80-73-;;

description: dataset for mass spectrometry (MS) HRMS (Pd2C82H54N8O4): calc.: 1428.2369, found: 1428.2448, 1426.2439 (with an intensity of 0.87).
DOI: 10.14272/sgzvalpmxjpjgd-vegfvyewsa-l/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C82H56N8O4.2Pd/c1-3-93-81(91)54-28-24-52(25-29-54)77-60-34-32-56(83-60)48-57-33-35-61(84-57)78(53-26-30-55(31-27-53)82(92)94-4-2)69-43-47-73(90-69)80(72-46-42-68(77)89-72)59-23-15-14-22-58(59)79-70-44-40-66(87-70)75(50-18-10-6-11-19-50)64-38-36-62(85-64)74(49-16-8-5-9-17-49)63-37-39-65(86-63)76(51-20-12-7-13-21-51)67-41-45-71(79)88-67;;/h5-48H,3-4H2,1-2H3,(H2-2,83,84,85,86,87,88,89,90,91,92);;/q-2;2*+2/p-2/b56-48-,57-48-,74-62-,74-63-,75-64-,75-66-,76-65-,76-67-,77-60-,77-68-,78-61-,78-69-,79-70-,79-71-,80-72-,80-73-;;

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (126 MHz, CDCl3, ppm) δ =134.1 (+, CH), 133.9 (+, CH), 133.8 (+, CH), 133.6 (+, CH), 133.4 (+, CH), 131.3 (+, CH), 130.9 (+, CH), 130.2 (+, CH), 129.7 (+, CH), 127.7(+, CH), 126.6 (+, CH), 126.5 (+, CH), 123.0 (Cq), 120.7 (Cq). Missing signals (68C) due to signal overlap, line broadening and little amount of substance. Impurities: Signals at 32.1, 29.9, 29.8 (H grease), 29.5, 22.9, 14.3, 1.2 (silicon grease) ppm do not belong to the molecule.
DOI: 10.14272/sgzvalpmxjpjgd-vegfvyewsa-l/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C82H56N8O4.2Pd/c1-3-93-81(91)54-28-24-52(25-29-54)77-60-34-32-56(83-60)48-57-33-35-61(84-57)78(53-26-30-55(31-27-53)82(92)94-4-2)69-43-47-73(90-69)80(72-46-42-68(77)89-72)59-23-15-14-22-58(59)79-70-44-40-66(87-70)75(50-18-10-6-11-19-50)64-38-36-62(85-64)74(49-16-8-5-9-17-49)63-37-39-65(86-63)76(51-20-12-7-13-21-51)67-41-45-71(79)88-67;;/h5-48H,3-4H2,1-2H3,(H2-2,83,84,85,86,87,88,89,90,91,92);;/q-2;2*+2/p-2/b56-48-,57-48-,74-62-,74-63-,75-64-,75-66-,76-65-,76-67-,77-60-,77-68-,78-61-,78-69-,79-70-,79-71-,80-72-,80-73-;;

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 2952, 2922, 2851, 1672, 1657, 1412, 1099, 875, 671, 618, 584, 572, 526, 445, 392 cm–1.
DOI: 10.14272/wvkiulbyjfbqgd-vegfvyewsa-l.1
title: C82H54N8O4Zn2
title: InChI=1S/C82H56N8O4.2Zn/c1-3-93-81(91)54-28-24-52(25-29-54)77-60-34-32-56(83-60)48-57-33-35-61(84-57)78(53-26-30-55(31-27-53)82(92)94-4-2)69-43-47-73(90-69)80(72-46-42-68(77)89-72)59-23-15-14-22-58(59)79-70-44-40-66(87-70)75(50-18-10-6-11-19-50)64-38-36-62(85-64)74(49-16-8-5-9-17-49)63-37-39-65(86-63)76(51-20-12-7-13-21-51)67-41-45-71(79)88-67;;/h5-48H,3-4H2,1-2H3,(H2-2,83,84,85,86,87,88,89,90,91,92);;/q-2;2*+2/p-2/b56-48-,57-48-,74-62-,74-63-,75-64-,75-66-,76-65-,76-67-,77-60-,77-68-,78-61-,78-69-,79-70-,79-71-,80-72-,80-73-;;

description: This dataset contains experimental data from a sample (InChI=1S/C82H56N8O4.2Zn/c1-3-93-81(91)54-28-24-52(25-29-54)77-60-34-32-56(83-60)48-57-33-35-61(84-57)78(53-26-30-55(31-27-53)82(92)94-4-2)69-43-47-73(90-69)80(72-46-42-68(77)89-72)59-23-15-14-22-58(59)79-70-44-40-66(87-70)75(50-18-10-6-11-19-50)64-38-36-62(85-64)74(49-16-8-5-9-17-49)63-37-39-65(86-63)76(51-20-12-7-13-21-51)67-41-45-71(79)88-67;;/h5-48H,3-4H2,1-2H3,(H2-2,83,84,85,86,87,88,89,90,91,92);;/q-2;2*+2/p-2/b56-48-,57-48-,74-62-,74-63-,75-64-,75-66-,76-65-,76-67-,77-60-,77-68-,78-61-,78-69-,79-70-,79-71-,80-72-,80-73-;;). The datasets from the following experiments are available: mass spectrometry (MS) 1H nuclear magnetic resonance spectroscopy (1H NMR) 13C nuclear magnetic resonance spectroscopy (13C NMR) infrared absorption spectroscopy (IR)
DOI: 10.14272/wvkiulbyjfbqgd-vegfvyewsa-l/chmo0000470
title: mass spectrometry (MS) ()
title: InChI=1S/C82H56N8O4.2Zn/c1-3-93-81(91)54-28-24-52(25-29-54)77-60-34-32-56(83-60)48-57-33-35-61(84-57)78(53-26-30-55(31-27-53)82(92)94-4-2)69-43-47-73(90-69)80(72-46-42-68(77)89-72)59-23-15-14-22-58(59)79-70-44-40-66(87-70)75(50-18-10-6-11-19-50)64-38-36-62(85-64)74(49-16-8-5-9-17-49)63-37-39-65(86-63)76(51-20-12-7-13-21-51)67-41-45-71(79)88-67;;/h5-48H,3-4H2,1-2H3,(H2-2,83,84,85,86,87,88,89,90,91,92);;/q-2;2*+2/p-2/b56-48-,57-48-,74-62-,74-63-,75-64-,75-66-,76-65-,76-67-,77-60-,77-68-,78-61-,78-69-,79-70-,79-71-,80-72-,80-73-;;

description: dataset for mass spectrometry (MS) HRMS (Zn2C82H54N8O4): calcd 1346.2828, found: 1346.2866, 1342.2893 (in intensity of 0.53).
DOI: 10.14272/wvkiulbyjfbqgd-vegfvyewsa-l/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C82H56N8O4.2Zn/c1-3-93-81(91)54-28-24-52(25-29-54)77-60-34-32-56(83-60)48-57-33-35-61(84-57)78(53-26-30-55(31-27-53)82(92)94-4-2)69-43-47-73(90-69)80(72-46-42-68(77)89-72)59-23-15-14-22-58(59)79-70-44-40-66(87-70)75(50-18-10-6-11-19-50)64-38-36-62(85-64)74(49-16-8-5-9-17-49)63-37-39-65(86-63)76(51-20-12-7-13-21-51)67-41-45-71(79)88-67;;/h5-48H,3-4H2,1-2H3,(H2-2,83,84,85,86,87,88,89,90,91,92);;/q-2;2*+2/p-2/b56-48-,57-48-,74-62-,74-63-,75-64-,75-66-,76-65-,76-67-,77-60-,77-68-,78-61-,78-69-,79-70-,79-71-,80-72-,80-73-;;

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (500 MHz, THF-d8, ppm) δ = 9.38 (3J = 4.6 Hz, 2H, Hpyrrole), 9.37 (3J = 4.6 Hz, 2H, Hpyrrole), 8.95–8.89 (m, 2H, Haromatic), 8.47 (3J = 4.6 Hz, 2H, Hpyrrole), 8.39–8.30 (m, 9H), 8.27 (dd, J = 7.6, 1.9 Hz, 4H, Haromatic), 8.17–7.86 (m, 1H), 7.84–7.69 (m, 6H, Haromatic), 7.69–7.56 (m, 6H, Haromatic), 7.53–7.35 (m, 5H, Haromatic), 7.26–7.22 (m, 4H, Haromatic), 7.19–7.00 (m, 1H), 4.66 (qt, J = 7.2, 3.7 Hz, 4H, CH2), 1.64 (t, 3J = 7.2, 6H, CH3). Impurities: 1.25 (H grease), 0.91–0.79 (H grease), 0.07 (silicon grease) ppm do not belong to the molecule.
DOI: 10.14272/wvkiulbyjfbqgd-vegfvyewsa-l/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C82H56N8O4.2Zn/c1-3-93-81(91)54-28-24-52(25-29-54)77-60-34-32-56(83-60)48-57-33-35-61(84-57)78(53-26-30-55(31-27-53)82(92)94-4-2)69-43-47-73(90-69)80(72-46-42-68(77)89-72)59-23-15-14-22-58(59)79-70-44-40-66(87-70)75(50-18-10-6-11-19-50)64-38-36-62(85-64)74(49-16-8-5-9-17-49)63-37-39-65(86-63)76(51-20-12-7-13-21-51)67-41-45-71(79)88-67;;/h5-48H,3-4H2,1-2H3,(H2-2,83,84,85,86,87,88,89,90,91,92);;/q-2;2*+2/p-2/b56-48-,57-48-,74-62-,74-63-,75-64-,75-66-,76-65-,76-67-,77-60-,77-68-,78-61-,78-69-,79-70-,79-71-,80-72-,80-73-;;

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (126 MHz, CDCl3, ppm) δ = 167.1 (Cq, COO), 150.0 (Cq), 149.6 (Cq), 149.3 (Cq), 149.1 (Cq), 148.8 (Cq), 147.1 (Cq), 146.4 (Cq), 142.5 (Cq), 134.3 (+, CH), 134.3 (+, CH), 133.7 (+, CH), 132.9 (+, CH), 132.7 (+, CH), 131.3 (+, CH), 131.2 (+, CH), 130.7 (+, CH), 130.1 (+, CH), 129.5 (Cq), 127.7 (+, CH), 127.7 (+, CH), 127.4 (+, CH), 127.2 (+, CH), 126.5 (+, CH), 120.5 (Cq), 120.2 (Cq), 119.1 (Cq), 61.5 (–, CH2, 2C), 14.8 (+, CH3, 2C). Missing signals (51C) due to signal overlap and line broadening. Impurities: 29.9 (H grease), 1.2 (siicon grease) ppm do not belong to the molecule.
DOI: 10.14272/wvkiulbyjfbqgd-vegfvyewsa-l/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C82H56N8O4.2Zn/c1-3-93-81(91)54-28-24-52(25-29-54)77-60-34-32-56(83-60)48-57-33-35-61(84-57)78(53-26-30-55(31-27-53)82(92)94-4-2)69-43-47-73(90-69)80(72-46-42-68(77)89-72)59-23-15-14-22-58(59)79-70-44-40-66(87-70)75(50-18-10-6-11-19-50)64-38-36-62(85-64)74(49-16-8-5-9-17-49)63-37-39-65(86-63)76(51-20-12-7-13-21-51)67-41-45-71(79)88-67;;/h5-48H,3-4H2,1-2H3,(H2-2,83,84,85,86,87,88,89,90,91,92);;/q-2;2*+2/p-2/b56-48-,57-48-,74-62-,74-63-,75-64-,75-66-,76-65-,76-67-,77-60-,77-68-,78-61-,78-69-,79-70-,79-71-,80-72-,80-73-;;

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 2919, 2850, 1715, 1605, 1441, 1265, 1176, 1099, 1069, 1010, 992, 795, 756, 715, 701 cm–1.
DOI: 10.14272/jzzvmmdskuemhk-ijeknqbhsa-l/bfo0000015
title: process ()
title: InChI=1S/C82H56N8O4.2Fe.O/c1-3-93-81(91)54-28-24-52(25-29-54)77-60-34-32-56(83-60)48-57-33-35-61(84-57)78(53-26-30-55(31-27-53)82(92)94-4-2)69-43-47-73(90-69)80(72-46-42-68(77)89-72)59-23-15-14-22-58(59)79-70-44-40-66(87-70)75(50-18-10-6-11-19-50)64-38-36-62(85-64)74(49-16-8-5-9-17-49)63-37-39-65(86-63)76(51-20-12-7-13-21-51)67-41-45-71(79)88-67;;;/h5-48H,3-4H2,1-2H3,(H2-2,83,84,85,86,87,88,89,90,91,92);;;/q-2;2*+2;/p-2/b56-48-,57-48-,74-62-,74-63-,75-64-,75-66-,76-65-,76-67-,77-60-,77-68-,78-61-,78-69-,79-70-,79-71-,80-72-,80-73-;;;

description: dataset for process IR (ATR, ṽ) = 2919, 2850, 1715, 1605, 1441, 1265, 1176, 1099, 1069, 1010, 992, 795, 756, 715, 701 cm–1.
DOI: 10.14272/vsszqppdiomeak-vegfvyewsa-l.1
title: C82H54N8Ni2O4
title: InChI=1S/C82H56N8O4.2Ni/c1-3-93-81(91)54-28-24-52(25-29-54)77-60-34-32-56(83-60)48-57-33-35-61(84-57)78(53-26-30-55(31-27-53)82(92)94-4-2)69-43-47-73(90-69)80(72-46-42-68(77)89-72)59-23-15-14-22-58(59)79-70-44-40-66(87-70)75(50-18-10-6-11-19-50)64-38-36-62(85-64)74(49-16-8-5-9-17-49)63-37-39-65(86-63)76(51-20-12-7-13-21-51)67-41-45-71(79)88-67;;/h5-48H,3-4H2,1-2H3,(H2-2,83,84,85,86,87,88,89,90,91,92);;/q-2;2*+2/p-2/b56-48-,57-48-,74-62-,74-63-,75-64-,75-66-,76-65-,76-67-,77-60-,77-68-,78-61-,78-69-,79-70-,79-71-,80-72-,80-73-;;

description: This dataset contains experimental data from a sample (InChI=1S/C82H56N8O4.2Ni/c1-3-93-81(91)54-28-24-52(25-29-54)77-60-34-32-56(83-60)48-57-33-35-61(84-57)78(53-26-30-55(31-27-53)82(92)94-4-2)69-43-47-73(90-69)80(72-46-42-68(77)89-72)59-23-15-14-22-58(59)79-70-44-40-66(87-70)75(50-18-10-6-11-19-50)64-38-36-62(85-64)74(49-16-8-5-9-17-49)63-37-39-65(86-63)76(51-20-12-7-13-21-51)67-41-45-71(79)88-67;;/h5-48H,3-4H2,1-2H3,(H2-2,83,84,85,86,87,88,89,90,91,92);;/q-2;2*+2/p-2/b56-48-,57-48-,74-62-,74-63-,75-64-,75-66-,76-65-,76-67-,77-60-,77-68-,78-61-,78-69-,79-70-,79-71-,80-72-,80-73-;;). The datasets from the following experiments are available: infrared absorption spectroscopy (IR) mass spectrometry (MS) 1H nuclear magnetic resonance spectroscopy (1H NMR) 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/vsszqppdiomeak-vegfvyewsa-l/chmo0000470
title: mass spectrometry (MS) ()
title: InChI=1S/C82H56N8O4.2Ni/c1-3-93-81(91)54-28-24-52(25-29-54)77-60-34-32-56(83-60)48-57-33-35-61(84-57)78(53-26-30-55(31-27-53)82(92)94-4-2)69-43-47-73(90-69)80(72-46-42-68(77)89-72)59-23-15-14-22-58(59)79-70-44-40-66(87-70)75(50-18-10-6-11-19-50)64-38-36-62(85-64)74(49-16-8-5-9-17-49)63-37-39-65(86-63)76(51-20-12-7-13-21-51)67-41-45-71(79)88-67;;/h5-48H,3-4H2,1-2H3,(H2-2,83,84,85,86,87,88,89,90,91,92);;/q-2;2*+2/p-2/b56-48-,57-48-,74-62-,74-63-,75-64-,75-66-,76-65-,76-67-,77-60-,77-68-,78-61-,78-69-,79-70-,79-71-,80-72-,80-73-;;

description: dataset for mass spectrometry (MS) HRMS (Ni2C82H54N8O4): calcd 1332.2963, found 1332.3040.
DOI: 10.14272/vsszqppdiomeak-vegfvyewsa-l/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C82H56N8O4.2Ni/c1-3-93-81(91)54-28-24-52(25-29-54)77-60-34-32-56(83-60)48-57-33-35-61(84-57)78(53-26-30-55(31-27-53)82(92)94-4-2)69-43-47-73(90-69)80(72-46-42-68(77)89-72)59-23-15-14-22-58(59)79-70-44-40-66(87-70)75(50-18-10-6-11-19-50)64-38-36-62(85-64)74(49-16-8-5-9-17-49)63-37-39-65(86-63)76(51-20-12-7-13-21-51)67-41-45-71(79)88-67;;/h5-48H,3-4H2,1-2H3,(H2-2,83,84,85,86,87,88,89,90,91,92);;/q-2;2*+2/p-2/b56-48-,57-48-,74-62-,74-63-,75-64-,75-66-,76-65-,76-67-,77-60-,77-68-,78-61-,78-69-,79-70-,79-71-,80-72-,80-73-;;

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (500 MHz, CDCl3, ppm) δ = 9.16 (bs, 2H, Hpyrrole), 8.99 (bs, 1H, Hpyrrole), 8.94 (3J = 4.8 Hz, 3H, Hpyrrole), 8.73 (dd, J = 7.6, 1.6 Hz, 2H, Haromatic), 8.56 (bs, 4H), 8.27–8.21 (m, 4H), 8.14 (3J = 4.8 Hz, 4H, Hpyrrole), 7.76 (bs, 2H), 7.67–7.57 (bs, 4H), 7.57–7.35 (m, 10H), 6.71 (bs, 1H), 6.41 (bs, 3H), 5.79 (bs, 2H), 5.34 (bs, 2H), 4.71 (bs, 4H, CH2), 1.70 (bs, 6H, CH3). Impurities: 2.96 (DMF), 2.88 (DMF), 1.25 (H grease), 0.93–0.79 (H grease), 0.07 (silicon grease) do not belong to the molecule.
DOI: 10.14272/vsszqppdiomeak-vegfvyewsa-l/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C82H56N8O4.2Ni/c1-3-93-81(91)54-28-24-52(25-29-54)77-60-34-32-56(83-60)48-57-33-35-61(84-57)78(53-26-30-55(31-27-53)82(92)94-4-2)69-43-47-73(90-69)80(72-46-42-68(77)89-72)59-23-15-14-22-58(59)79-70-44-40-66(87-70)75(50-18-10-6-11-19-50)64-38-36-62(85-64)74(49-16-8-5-9-17-49)63-37-39-65(86-63)76(51-20-12-7-13-21-51)67-41-45-71(79)88-67;;/h5-48H,3-4H2,1-2H3,(H2-2,83,84,85,86,87,88,89,90,91,92);;/q-2;2*+2/p-2/b56-48-,57-48-,74-62-,74-63-,75-64-,75-66-,76-65-,76-67-,77-60-,77-68-,78-61-,78-69-,79-70-,79-71-,80-72-,80-73-;;

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (126 MHz, CDCl3, ppm): δ = 167.1 (Cq, COO), 145.8 (Cq), 142.9 (Cq), 140.6 (Cq), 133.9 (+, CH), 133.5 (+, CH), 132.5 (+, CH), 130.3 (+, CH), 129.6 (+, CH), 127.6 (Cq), 127.0 (+, CH), 126.9 (+, CH), 125.8 (+, CH), 124.3 (+, CH), 61.5 (–, CH2), 14.8 (+, CH3). Missing signals (66C) due to signal overlap and line broadening. Impurities: 29.9 (H grease), 1.2 (silicon grease) ppm do not belong to the molecule.
DOI: 10.14272/vsszqppdiomeak-vegfvyewsa-l/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C82H56N8O4.2Ni/c1-3-93-81(91)54-28-24-52(25-29-54)77-60-34-32-56(83-60)48-57-33-35-61(84-57)78(53-26-30-55(31-27-53)82(92)94-4-2)69-43-47-73(90-69)80(72-46-42-68(77)89-72)59-23-15-14-22-58(59)79-70-44-40-66(87-70)75(50-18-10-6-11-19-50)64-38-36-62(85-64)74(49-16-8-5-9-17-49)63-37-39-65(86-63)76(51-20-12-7-13-21-51)67-41-45-71(79)88-67;;/h5-48H,3-4H2,1-2H3,(H2-2,83,84,85,86,87,88,89,90,91,92);;/q-2;2*+2/p-2/b56-48-,57-48-,74-62-,74-63-,75-64-,75-66-,76-65-,76-67-,77-60-,77-68-,78-61-,78-69-,79-70-,79-71-,80-72-,80-73-;;

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 3048, 2917, 2854, 1720, 1604, 1458, 1442, 1353, 1268, 1111, 1096, 1075, 1004, 789, 752, 698 cm–1.
DOI: 10.3886/e113864v1-23757
title: Replication data for: Employment, Wages, and Voter Turnout

description: Using county-level data across several decades, and various OLS and TSLS models, we find that higher local wages and employment lower turnout in elections for governor, senator, US Congress and state House of Representatives, but have no effect on presidential turnout. We also find that the share of people voting in one election but not in another on the same ballot increases as local labor market conditions improve. We argue that these results are most consistent with information-based models of voting, and use individual level panel data to show that increased employment lowers media usage and political knowledge.
DOI: 10.14272/aioyfzdbuigaaq-olrukzaisa-n.1
title: C88H54N8Ni2
title: InChI=1S/C88H54N8.2Ni/c1-8-24-55(25-9-1)80-65-41-44-69(90-65)83(58-30-14-4-15-31-58)73-49-52-77(94-73)87(78-53-50-74(95-78)84(59-32-16-5-17-33-59)70-45-42-66(80)91-70)63-39-23-22-38-62(63)64-54-79-85(60-34-18-6-19-35-60)75-47-46-71(92-75)81(56-26-10-2-11-27-56)67-40-43-68(89-67)82(57-28-12-3-13-29-57)72-48-51-76(93-72)86(88(64)96-79)61-36-20-7-21-37-61;;/h1-54H;;/q-4;2*+2/b80-65-,80-66-,81-67-,81-71-,82-68-,82-72-,83-69-,83-73-,84-70-,84-74-,85-75-,85-79-,86-76-,87-77-,87-78-,88-86-;;

description: This dataset contains experimental data from a sample (InChI=1S/C88H54N8.2Ni/c1-8-24-55(25-9-1)80-65-41-44-69(90-65)83(58-30-14-4-15-31-58)73-49-52-77(94-73)87(78-53-50-74(95-78)84(59-32-16-5-17-33-59)70-45-42-66(80)91-70)63-39-23-22-38-62(63)64-54-79-85(60-34-18-6-19-35-60)75-47-46-71(92-75)81(56-26-10-2-11-27-56)67-40-43-68(89-67)82(57-28-12-3-13-29-57)72-48-51-76(93-72)86(88(64)96-79)61-36-20-7-21-37-61;;/h1-54H;;/q-4;2*+2/b80-65-,80-66-,81-67-,81-71-,82-68-,82-72-,83-69-,83-73-,84-70-,84-74-,85-75-,85-79-,86-76-,87-77-,87-78-,88-86-;;). The datasets from the following experiments are available: infrared absorption spectroscopy (IR) 1H nuclear magnetic resonance spectroscopy (1H NMR) 13C nuclear magnetic resonance spectroscopy (13C NMR) mass spectrometry (MS)
DOI: 10.14272/aioyfzdbuigaaq-olrukzaisa-n/chmo0000470
title: mass spectrometry (MS) ()
title: InChI=1S/C88H54N8.2Ni/c1-8-24-55(25-9-1)80-65-41-44-69(90-65)83(58-30-14-4-15-31-58)73-49-52-77(94-73)87(78-53-50-74(95-78)84(59-32-16-5-17-33-59)70-45-42-66(80)91-70)63-39-23-22-38-62(63)64-54-79-85(60-34-18-6-19-35-60)75-47-46-71(92-75)81(56-26-10-2-11-27-56)67-40-43-68(89-67)82(57-28-12-3-13-29-57)72-48-51-76(93-72)86(88(64)96-79)61-36-20-7-21-37-61;;/h1-54H;;/q-4;2*+2/b80-65-,80-66-,81-67-,81-71-,82-68-,82-72-,83-69-,83-73-,84-70-,84-74-,85-75-,85-79-,86-76-,87-77-,87-78-,88-86-;;

description: dataset for mass spectrometry (MS) HRMS (Ni2C88H54N8): calcd 1340.3169, found: 1340.3175.
DOI: 10.14272/aioyfzdbuigaaq-olrukzaisa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C88H54N8.2Ni/c1-8-24-55(25-9-1)80-65-41-44-69(90-65)83(58-30-14-4-15-31-58)73-49-52-77(94-73)87(78-53-50-74(95-78)84(59-32-16-5-17-33-59)70-45-42-66(80)91-70)63-39-23-22-38-62(63)64-54-79-85(60-34-18-6-19-35-60)75-47-46-71(92-75)81(56-26-10-2-11-27-56)67-40-43-68(89-67)82(57-28-12-3-13-29-57)72-48-51-76(93-72)86(88(64)96-79)61-36-20-7-21-37-61;;/h1-54H;;/q-4;2*+2/b80-65-,80-66-,81-67-,81-71-,82-68-,82-72-,83-69-,83-73-,84-70-,84-74-,85-75-,85-79-,86-76-,87-77-,87-78-,88-86-;;

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (500 MHz, THF-d8): δ = 9.28 (d, 3J = 5.0 Hz, 1H, Hpyrrole), 8.91 (d, 3J = 5.0 Hz, 1H, Hpyrrole), 8.79 (d, 3J = 5.0 Hz, 1H, Hpyrrole), 8.74 (d, 3J = 5.0 Hz, 1H, Hpyrrole), 8.71 (d, 3J = 4.9 Hz, 1H, Hpyrrole), 8.60 (d, 3J = 4.9 Hz, 1H, Hpyrrole), 8.51 (d, 3J = 4.9 Hz, 1H, Hpyrrole), 8.48 (t, 3J = 4.9 Hz, 2H, Hpyrrole), 8.45–8.41 (m, 2H), 8.40 (dd, J = 7.7, 1.3 Hz, 1H, Haromatic), 8.26 (t, 3J = 4.9 Hz, 2H, Hpyrrole), 8.21–8.00 (m, 2H), 7.98 (d, 3J = 4.9 Hz, 1H, Hpyrrole), 7.90 (d, 3J = 7.34 Hz, 4H, Haromatic), 7.88–7.71 (m, 7H), 7.71–7.64 (m, 3H), 7.64–7.47 (m, 14H), 7.44 (td, J = 7.4, 1.8 Hz, 1H, Haromatic), 7.26–7.18 (m, 2H), 7.09 (s, 1H), 6.55 (tt, J = 7.6, 1.3 Hz, 1H), 6.43–6.01 (m, 2H), 5.96–5.57 (m, 2H). Impurities: 10.84 (origin: THF-d8), 10.70, 3.25, 2.45, 1.29 (H grease), 0.92–0.82 (H grease), 0.11 (silicon grease) do not belong to the molecule.
DOI: 10.14272/aioyfzdbuigaaq-olrukzaisa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C88H54N8.2Ni/c1-8-24-55(25-9-1)80-65-41-44-69(90-65)83(58-30-14-4-15-31-58)73-49-52-77(94-73)87(78-53-50-74(95-78)84(59-32-16-5-17-33-59)70-45-42-66(80)91-70)63-39-23-22-38-62(63)64-54-79-85(60-34-18-6-19-35-60)75-47-46-71(92-75)81(56-26-10-2-11-27-56)67-40-43-68(89-67)82(57-28-12-3-13-29-57)72-48-51-76(93-72)86(88(64)96-79)61-36-20-7-21-37-61;;/h1-54H;;/q-4;2*+2/b80-65-,80-66-,81-67-,81-71-,82-68-,82-72-,83-69-,83-73-,84-70-,84-74-,85-75-,85-79-,86-76-,87-77-,87-78-,88-86-;;

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (126 MHz, THF-d8, ppm): δ = 145.4 (Cq), 143.4 (Cq), 143.0 (Cq), 142.7 (Cq), 140.7 (Cq), 140.2 (Cq), 137.4 (+, CH), 136.1 (+, CH), 135.4 (+, CH), 134.7 (+, CH), 134.6 (+, CH), 134.5 (+, CH), 132.9 (+, CH), 132.8 (+, CH), 132.6 (+, CH), 132.4 (+, CH), 128.7 (+, CH), 128.2 (+, CH), 127.9 (+, CH), 127.8 (+, CH), 127.4 (+, CH), 127.1 (+, CH), 126.1 (+, CH), 119.3 (Cq). Missing signals (64C), due to signal overlap and line broadening. Impurities: 33.1, 30.8 (H grease), 30.5, 23.7, 14.6, 1.5 (silicon grease) ppm do not belong to the molecule.
DOI: 10.14272/aioyfzdbuigaaq-olrukzaisa-n/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C88H54N8.2Ni/c1-8-24-55(25-9-1)80-65-41-44-69(90-65)83(58-30-14-4-15-31-58)73-49-52-77(94-73)87(78-53-50-74(95-78)84(59-32-16-5-17-33-59)70-45-42-66(80)91-70)63-39-23-22-38-62(63)64-54-79-85(60-34-18-6-19-35-60)75-47-46-71(92-75)81(56-26-10-2-11-27-56)67-40-43-68(89-67)82(57-28-12-3-13-29-57)72-48-51-76(93-72)86(88(64)96-79)61-36-20-7-21-37-61;;/h1-54H;;/q-4;2*+2/b80-65-,80-66-,81-67-,81-71-,82-68-,82-72-,83-69-,83-73-,84-70-,84-74-,85-75-,85-79-,86-76-,87-77-,87-78-,88-86-;;

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 2953 (s), 2922 (vs), 2850 (vs), 2325 (s), 2164 (vs), 1088 (vs), 1007 (vs), 616 (vs), 547 (vs), 453 (vs) cm–1.
DOI: 10.14272/jzzvmmdskuemhk-ijeknqbhsa-l
title: C82H54Fe2N8O5
title: InChI=1S/C82H56N8O4.2Fe.O/c1-3-93-81(91)54-28-24-52(25-29-54)77-60-34-32-56(83-60)48-57-33-35-61(84-57)78(53-26-30-55(31-27-53)82(92)94-4-2)69-43-47-73(90-69)80(72-46-42-68(77)89-72)59-23-15-14-22-58(59)79-70-44-40-66(87-70)75(50-18-10-6-11-19-50)64-38-36-62(85-64)74(49-16-8-5-9-17-49)63-37-39-65(86-63)76(51-20-12-7-13-21-51)67-41-45-71(79)88-67;;;/h5-48H,3-4H2,1-2H3,(H2-2,83,84,85,86,87,88,89,90,91,92);;;/q-2;2*+2;/p-2/b56-48-,57-48-,74-62-,74-63-,75-64-,75-66-,76-65-,76-67-,77-60-,77-68-,78-61-,78-69-,79-70-,79-71-,80-72-,80-73-;;;

description: This dataset contains experimental data from a sample (InChI=1S/C82H56N8O4.2Fe.O/c1-3-93-81(91)54-28-24-52(25-29-54)77-60-34-32-56(83-60)48-57-33-35-61(84-57)78(53-26-30-55(31-27-53)82(92)94-4-2)69-43-47-73(90-69)80(72-46-42-68(77)89-72)59-23-15-14-22-58(59)79-70-44-40-66(87-70)75(50-18-10-6-11-19-50)64-38-36-62(85-64)74(49-16-8-5-9-17-49)63-37-39-65(86-63)76(51-20-12-7-13-21-51)67-41-45-71(79)88-67;;;/h5-48H,3-4H2,1-2H3,(H2-2,83,84,85,86,87,88,89,90,91,92);;;/q-2;2*+2;/p-2/b56-48-,57-48-,74-62-,74-63-,75-64-,75-66-,76-65-,76-67-,77-60-,77-68-,78-61-,78-69-,79-70-,79-71-,80-72-,80-73-;;;). The datasets from the following experiments are available: process mass spectrometry (MS)
DOI: 10.14272/jzzvmmdskuemhk-ijeknqbhsa-l/chmo0000470
title: mass spectrometry (MS) ()
title: InChI=1S/C82H56N8O4.2Fe.O/c1-3-93-81(91)54-28-24-52(25-29-54)77-60-34-32-56(83-60)48-57-33-35-61(84-57)78(53-26-30-55(31-27-53)82(92)94-4-2)69-43-47-73(90-69)80(72-46-42-68(77)89-72)59-23-15-14-22-58(59)79-70-44-40-66(87-70)75(50-18-10-6-11-19-50)64-38-36-62(85-64)74(49-16-8-5-9-17-49)63-37-39-65(86-63)76(51-20-12-7-13-21-51)67-41-45-71(79)88-67;;;/h5-48H,3-4H2,1-2H3,(H2-2,83,84,85,86,87,88,89,90,91,92);;;/q-2;2*+2;/p-2/b56-48-,57-48-,74-62-,74-63-,75-64-,75-66-,76-65-,76-67-,77-60-,77-68-,78-61-,78-69-,79-70-,79-71-,80-72-,80-73-;;;

description: dataset for mass spectrometry (MS) HRMS (Fe2OC82H54N8O4): calc.: 1342.2916, found: 1342.2940