cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.14272/fdpaofabtkskob-lvylmhptsa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C52H36N6O4/c1-3-61-51(59)37-11-7-35(8-12-37)49-45-21-17-41(55-45)39(15-5-33-25-29-53-30-26-33)43-19-23-47(57-43)50(36-9-13-38(14-10-36)52(60)62-4-2)48-24-20-44(58-48)40(42-18-22-46(49)56-42)16-6-34-27-31-54-32-28-34/h7-14,17-32,55,58H,3-4H2,1-2H3/b41-39-,42-40-,43-39-,44-40-,49-45-,49-46-,50-47-,50-48-

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (101 MHz, CDCl3, ppm) δ = 14.7 (+, 2 × CH3), 61.6 (–, 2 × CH2), 94.8 (Cq), 96.1 (Cq) 100.4 (Cq), 121.5 (Cq), 125.6 (+, CH), 128.3 (+, CH), 130.6 (Cq), 131.8 (Cq) 134.6 (+, CH), 150.4 (+, CH), 166.8 (Cq, 2 × COO). Distribution of remaining carbons (38C) on listed signals not clear. Impurities: Spectrum contains signal of grease (29.9 ppm).
DOI: 10.14272/fdpaofabtkskob-lvylmhptsa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C52H36N6O4/c1-3-61-51(59)37-11-7-35(8-12-37)49-45-21-17-41(55-45)39(15-5-33-25-29-53-30-26-33)43-19-23-47(57-43)50(36-9-13-38(14-10-36)52(60)62-4-2)48-24-20-44(58-48)40(42-18-22-46(49)56-42)16-6-34-27-31-54-32-28-34/h7-14,17-32,55,58H,3-4H2,1-2H3/b41-39-,42-40-,43-39-,44-40-,49-45-,49-46-,50-47-,50-48-

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, CDCl3, ppm) δ = –2.10 (bs, 2H, 2 × NH), 1.58 (t, 3J = 7.1 Hz, 6H, 2 × CH3), 4.61 (q, 3J = 7.2 Hz, 4H, 2 × CH2), 7.84–7.88 (m, 4H, 4 × CHPyridin), 8.28 (d, 3J = 8.2 Hz, 4H, 4 × o‑CHAr), 8.50 (d, 3J = 8.1 Hz, 4H, 4 × m‑CHAr), 8.79–8.87 (m, 8H, 4 × CHPyridin, 4 × CHPyr), 9.66 (d, 3J = 4.8 Hz, 4H, 4 × CHPyr). Impurities: Spectrum contains signals of grease (0.80‒0.90 and 1.26 ppm), water (1.59 ppm) and CH2Cl2 (5.30 ppm).
DOI: 10.14272/fdpaofabtkskob-lvylmhptsa-n/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C52H36N6O4/c1-3-61-51(59)37-11-7-35(8-12-37)49-45-21-17-41(55-45)39(15-5-33-25-29-53-30-26-33)43-19-23-47(57-43)50(36-9-13-38(14-10-36)52(60)62-4-2)48-24-20-44(58-48)40(42-18-22-46(49)56-42)16-6-34-27-31-54-32-28-34/h7-14,17-32,55,58H,3-4H2,1-2H3/b41-39-,42-40-,43-39-,44-40-,49-45-,49-46-,50-47-,50-48-

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 2192 (w), 1711 (m), 1606 (w), 1589 (m), 1555 (w), 1473 (w), 1400 (w), 1365 (w), 1266 (m), 1158 (w), 1110 (m), 1022 (w), 973 (m), 925 (w), 849 (w), 801 (m), 756 (m), 719 (m), 635 (w), 578 (w), 529 (w), 441 (w), 386 (vw) cm–1.
DOI: 10.14272/fdpaofabtkskob-lvylmhptsa-n.1
title: Diethyl 4,4'-(10,20-bis(4-pyridinylethynyl)porphyrin-5,15-diyl)dibenzoate
title: InChI=1S/C52H36N6O4/c1-3-61-51(59)37-11-7-35(8-12-37)49-45-21-17-41(55-45)39(15-5-33-25-29-53-30-26-33)43-19-23-47(57-43)50(36-9-13-38(14-10-36)52(60)62-4-2)48-24-20-44(58-48)40(42-18-22-46(49)56-42)16-6-34-27-31-54-32-28-34/h7-14,17-32,55,58H,3-4H2,1-2H3/b41-39-,42-40-,43-39-,44-40-,49-45-,49-46-,50-47-,50-48-

description: This dataset contains experimental data from a sample (InChI=1S/C52H36N6O4/c1-3-61-51(59)37-11-7-35(8-12-37)49-45-21-17-41(55-45)39(15-5-33-25-29-53-30-26-33)43-19-23-47(57-43)50(36-9-13-38(14-10-36)52(60)62-4-2)48-24-20-44(58-48)40(42-18-22-46(49)56-42)16-6-34-27-31-54-32-28-34/h7-14,17-32,55,58H,3-4H2,1-2H3/b41-39-,42-40-,43-39-,44-40-,49-45-,49-46-,50-47-,50-48-). The datasets from the following experiments are available: 1H nuclear magnetic resonance spectroscopy (1H NMR) infrared absorption spectroscopy (IR) 13C nuclear magnetic resonance spectroscopy (13C NMR) mass spectrometry (MS)
DOI: 10.6084/m9.figshare.5682658
title: RGB input PCA dataset

description: Each column represents a vector of 3720 elements that were obtained from the calculation of 20 PCA, for each RGB color matrix , to the image dataset
DOI: 10.14272/qjwlpwbbloyibk-lflxbyllsa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C70H46N4O4/c1-3-77-69(75)45-25-21-43(22-26-45)67-63-37-33-59(71-63)57(31-29-49-41-47-13-5-7-15-51(47)55-19-11-9-17-53(49)55)61-35-39-65(73-61)68(44-23-27-46(28-24-44)70(76)78-4-2)66-40-36-62(74-66)58(60-34-38-64(67)72-60)32-30-50-42-48-14-6-8-16-52(48)56-20-12-10-18-54(50)56/h5-28,33-42,71,74H,3-4H2,1-2H3/b59-57-,60-58-,61-57-,62-58-,67-63-,67-64-,68-65-,68-66-

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (126 MHz, CDCl3 + TFA, ppm) δ = 14.6 (+, 2 × CH3), 62.2 (–, 2 × CH2), 93.9 (Cq), 100.1 (Cq), 104.8 (Cq), 113.2 (Cq), 115.5 (Cq), 118.8 (Cq), 123.2 (+, CH), 123.5 (+, CH), 124.1 (Cq), 127.1 (+, CH), 127.7 (+, CH), 128.0 (+, CH), 128.1 (+, CH), 128.4 (+, CH), 129.2 (+, CH), 129.6 (+, CH), 129.7 (+, CH), 130.0 (+, CH), 130.4 (Cq), 130.7 (Cq), 131.1 (Cq), 131.3 (Cq), 131.6 (Cq), 132.33 (Cq), 135.2 (+, CH), 138.0 (+, CH), 142.7 (Cq), 144.7 (Cq), 147.0 (Cq). Distribution of remaining carbons (37C) on listed signals not clear. Impurities: Spectrum contains signal of grease (29.8 ppm).
DOI: 10.14272/qjwlpwbbloyibk-lflxbyllsa-n/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C70H46N4O4/c1-3-77-69(75)45-25-21-43(22-26-45)67-63-37-33-59(71-63)57(31-29-49-41-47-13-5-7-15-51(47)55-19-11-9-17-53(49)55)61-35-39-65(73-61)68(44-23-27-46(28-24-44)70(76)78-4-2)66-40-36-62(74-66)58(60-34-38-64(67)72-60)32-30-50-42-48-14-6-8-16-52(48)56-20-12-10-18-54(50)56/h5-28,33-42,71,74H,3-4H2,1-2H3/b59-57-,60-58-,61-57-,62-58-,67-63-,67-64-,68-65-,68-66-

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 2953, 2919, 2871, 2850, 1713, 1605, 1472, 1366, 1269, 1221, 1179, 1157, 1109, 1098, 1040, 1026, 1000, 982, 970, 915, 880, 849, 793, 779, 759, 748, 735, 718, 704, 506, 448, 421, 395 cm–1.
DOI: 10.6084/m9.figshare.5682658.v3
title: RGB input PCA dataset

description: Each column represents a vector of 3720 elements that were obtained from the calculation of 20 PCA, for each RGB color matrix , to the image dataset
DOI: 10.14272/qjwlpwbbloyibk-lflxbyllsa-n/chmo0000470
title: mass spectrometry (MS) ()
title: InChI=1S/C70H46N4O4/c1-3-77-69(75)45-25-21-43(22-26-45)67-63-37-33-59(71-63)57(31-29-49-41-47-13-5-7-15-51(47)55-19-11-9-17-53(49)55)61-35-39-65(73-61)68(44-23-27-46(28-24-44)70(76)78-4-2)66-40-36-62(74-66)58(60-34-38-64(67)72-60)32-30-50-42-48-14-6-8-16-52(48)56-20-12-10-18-54(50)56/h5-28,33-42,71,74H,3-4H2,1-2H3/b59-57-,60-58-,61-57-,62-58-,67-63-,67-64-,68-65-,68-66-

description: dataset for mass spectrometry (MS) MS (FAB, 3-NBA): m/z (%) = 1007 (100) [M+H]+, 1006 (77) [M]+.
DOI: 10.6084/m9.figshare.5682658.v2
title: RGB PCA dataset

description: Each column represents a vector of 3720 elements that were obtained from the calculation of 20 PCA, for each RGB color matrix , to the image dataset
DOI: 10.14272/qjwlpwbbloyibk-lflxbyllsa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C70H46N4O4/c1-3-77-69(75)45-25-21-43(22-26-45)67-63-37-33-59(71-63)57(31-29-49-41-47-13-5-7-15-51(47)55-19-11-9-17-53(49)55)61-35-39-65(73-61)68(44-23-27-46(28-24-44)70(76)78-4-2)66-40-36-62(74-66)58(60-34-38-64(67)72-60)32-30-50-42-48-14-6-8-16-52(48)56-20-12-10-18-54(50)56/h5-28,33-42,71,74H,3-4H2,1-2H3/b59-57-,60-58-,61-57-,62-58-,67-63-,67-64-,68-65-,68-66-

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (500 MHz, CDCl3 + TFA, ppm) δ = 1.61 (t, 3J = 7.2 Hz, 6H, 2 × CH3), 4.65 (q, 3J = 7.0 Hz, 4H, 2 × CH2), 7.79 (t, 3J = 6.9 Hz, 2H, 2 × CHPhen), 7.86 (t, 3J = 6.9 Hz, 2H, 2 × CHPhen), 7.93 (t, 3J = 6.6 Hz, 2H, 2 × CHPhen), 8.02 (t, 3J = 7.1 Hz, 2H, 2 × CHPhen), 8.15 (d, 3J = 7.1 Hz, 2H, 2 × CHPhen), 8.60 (d, 3J = 7.6 Hz, 4H, 4 × CHAr), 8.64–8.77 (m, 10H, 4 × CHAr, 4 × CHPyr, 2 × CHPhen), 8.84 (d, 3J = 7.5 Hz, 2H, 2 × CHPhen), 8.91 (d, 3J = 8.0 Hz, 2H, 2 × CHPhen), 9.07 (d, 3J = 8.0 Hz, 2H, 2 × CHPhen), 9.58 (d, 3J = 4.4 Hz, 4H, 4 × CHPyr). NH protons (2H) are missing due to addition of TFA. Impurities: Spectrum contains signals of grease (0.80‒0.90 and 1.26 ppm) and water (1.52 ppm).
DOI: 10.14272/qjwlpwbbloyibk-lflxbyllsa-n.1
title: Diethyl 4,4'-(10,20-bis(phenanthren-9-ylethynyl)porphyrin-5,15-diyl)dibenzoate
title: InChI=1S/C70H46N4O4/c1-3-77-69(75)45-25-21-43(22-26-45)67-63-37-33-59(71-63)57(31-29-49-41-47-13-5-7-15-51(47)55-19-11-9-17-53(49)55)61-35-39-65(73-61)68(44-23-27-46(28-24-44)70(76)78-4-2)66-40-36-62(74-66)58(60-34-38-64(67)72-60)32-30-50-42-48-14-6-8-16-52(48)56-20-12-10-18-54(50)56/h5-28,33-42,71,74H,3-4H2,1-2H3/b59-57-,60-58-,61-57-,62-58-,67-63-,67-64-,68-65-,68-66-

description: This dataset contains experimental data from a sample (InChI=1S/C70H46N4O4/c1-3-77-69(75)45-25-21-43(22-26-45)67-63-37-33-59(71-63)57(31-29-49-41-47-13-5-7-15-51(47)55-19-11-9-17-53(49)55)61-35-39-65(73-61)68(44-23-27-46(28-24-44)70(76)78-4-2)66-40-36-62(74-66)58(60-34-38-64(67)72-60)32-30-50-42-48-14-6-8-16-52(48)56-20-12-10-18-54(50)56/h5-28,33-42,71,74H,3-4H2,1-2H3/b59-57-,60-58-,61-57-,62-58-,67-63-,67-64-,68-65-,68-66-). 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: 10.6084/m9.figshare.5682655
title: Diversity panel Goss's wilt data

description: BLUPs based on AUDPC values for Goss's wilt phenotypes scored on the Goodman diversity panel.
DOI: 10.6084/m9.figshare.5682655.v1
title: Diversity panel Goss's wilt data

description: BLUPs based on AUDPC values for Goss's wilt phenotypes scored on the Goodman diversity panel.
DOI: 10.14272/acawwmoqoysrom-szxtzknnsa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C58H42N4O8/c1-5-69-57(65)41-21-17-37(18-22-41)53-49-31-27-45(59-49)43(25-11-35-7-13-39(14-8-35)55(63)67-3)47-29-33-51(61-47)54(38-19-23-42(24-20-38)58(66)70-6-2)52-34-30-48(62-52)44(46-28-32-50(53)60-46)26-12-36-9-15-40(16-10-36)56(64)68-4/h7-10,13-24,27-34,59,62H,5-6H2,1-4H3/b45-43-,46-44-,47-43-,48-44-,53-49-,53-50-,54-51-,54-52-

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (126 MHz, CDCl3, ppm) δ = 14.7 (+, 2 × CH2CH3), 52.5 (+, 2 × OCH3), 61.6 (–, 2 × CH2), 94.7 (Cq), 101.2 (Cq), 121.3 (Cq), 128.3 (Cq), 130.1 (+, CH), 130.1 (Cq), 130.5 (Cq), 131.7 (+, CH), 134.6 (+, CH), 146.0 (Cq), 166.7 (Cq, 2 × COO), 166.9 (Cq, 2 × COO). Distribution of remaining carbons (38C) on listed signals not clear. Impurities: Spectrum contains signal of grease (29.9 ppm).
DOI: 10.14272/acawwmoqoysrom-szxtzknnsa-n/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C58H42N4O8/c1-5-69-57(65)41-21-17-37(18-22-41)53-49-31-27-45(59-49)43(25-11-35-7-13-39(14-8-35)55(63)67-3)47-29-33-51(61-47)54(38-19-23-42(24-20-38)58(66)70-6-2)52-34-30-48(62-52)44(46-28-32-50(53)60-46)26-12-36-9-15-40(16-10-36)56(64)68-4/h7-10,13-24,27-34,59,62H,5-6H2,1-4H3/b45-43-,46-44-,47-43-,48-44-,53-49-,53-50-,54-51-,54-52-

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 2975 (vw), 2196 (vw), 1715 (m), 1601 (m), 1556 (w), 1434 (w), 1402 (w), 1366 (w), 1305 (w), 1269 (s), 1159 (w), 1098 (m), 1018 (w), 973 (w), 924 (w), 849 (w), 830 (w), 799 (m), 762 (m), 735 (w), 717 (m), 689 (w), 513 (w) cm–1.
DOI: 10.14272/acawwmoqoysrom-szxtzknnsa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C58H42N4O8/c1-5-69-57(65)41-21-17-37(18-22-41)53-49-31-27-45(59-49)43(25-11-35-7-13-39(14-8-35)55(63)67-3)47-29-33-51(61-47)54(38-19-23-42(24-20-38)58(66)70-6-2)52-34-30-48(62-52)44(46-28-32-50(53)60-46)26-12-36-9-15-40(16-10-36)56(64)68-4/h7-10,13-24,27-34,59,62H,5-6H2,1-4H3/b45-43-,46-44-,47-43-,48-44-,53-49-,53-50-,54-51-,54-52-

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (500 MHz, CDCl3, ppm) δ = –2.00 (bs, 2H, 2 × NH), 1.58 (t, 3J = 7.2 Hz, 6H, 2 × CH2CH3), 4.01 (s, 6H, 2 × OCH3), 4.61 (q, 3J = 7.2 Hz, 4H, 2 × CH2CH3), 8.08 (d, 3J = 8.0 Hz, 4H, 4 × CHArAlkyne), 8.24 (d, 3J = 8.1 Hz, 4H, 4 × CHArAlkyne), 8.29 (d, 3J = 8.2 Hz, 4H, 4 × o‑CHAr), 8.50 (d, 3J = 8.2 Hz, 4H, 4 × m‑CHAr), 8.81 (d, 3J = 4.7 Hz, 4H, 4 × CHPyr), 9.69 (d, 3J = 4.7 Hz, 4H, 4 × CHPyr). Impurities: Spectrum contains signals of grease (0.80‒0.90 and 1.26 ppm), water (1.54 ppm) and minor aromatic impurities (7.29‒7.65 ppm).
DOI: 10.6084/m9.figshare.5682643
title: LPC input coeficients of the RGB histogram data

description: LPC coefficient of the histograms, each column is a vector of 300 elements, which contain the LPC coefficients of calculated from the RGB, 100 histograms for each colour histogram.
DOI: 10.14272/acawwmoqoysrom-szxtzknnsa-n/chmo0000470
title: mass spectrometry (MS) ()
title: InChI=1S/C58H42N4O8/c1-5-69-57(65)41-21-17-37(18-22-41)53-49-31-27-45(59-49)43(25-11-35-7-13-39(14-8-35)55(63)67-3)47-29-33-51(61-47)54(38-19-23-42(24-20-38)58(66)70-6-2)52-34-30-48(62-52)44(46-28-32-50(53)60-46)26-12-36-9-15-40(16-10-36)56(64)68-4/h7-10,13-24,27-34,59,62H,5-6H2,1-4H3/b45-43-,46-44-,47-43-,48-44-,53-49-,53-50-,54-51-,54-52-

description: dataset for mass spectrometry (MS) MS (ESI): m/z (%) = 923 (2) [M+H]+, 871 (6), 843 (7), 681 (42), 545 (100).HRMS (C58H43O8N4): calcd 923.3081, found 923.3055.
DOI: 10.14272/acawwmoqoysrom-szxtzknnsa-n.1
title: Diethyl 4,4'-(10,20-bis(4-methoxycarbonyllphenylethynyl)-porphyrin-5,15-diyl)dibenzoate
title: InChI=1S/C58H42N4O8/c1-5-69-57(65)41-21-17-37(18-22-41)53-49-31-27-45(59-49)43(25-11-35-7-13-39(14-8-35)55(63)67-3)47-29-33-51(61-47)54(38-19-23-42(24-20-38)58(66)70-6-2)52-34-30-48(62-52)44(46-28-32-50(53)60-46)26-12-36-9-15-40(16-10-36)56(64)68-4/h7-10,13-24,27-34,59,62H,5-6H2,1-4H3/b45-43-,46-44-,47-43-,48-44-,53-49-,53-50-,54-51-,54-52-

description: This dataset contains experimental data from a sample (InChI=1S/C58H42N4O8/c1-5-69-57(65)41-21-17-37(18-22-41)53-49-31-27-45(59-49)43(25-11-35-7-13-39(14-8-35)55(63)67-3)47-29-33-51(61-47)54(38-19-23-42(24-20-38)58(66)70-6-2)52-34-30-48(62-52)44(46-28-32-50(53)60-46)26-12-36-9-15-40(16-10-36)56(64)68-4/h7-10,13-24,27-34,59,62H,5-6H2,1-4H3/b45-43-,46-44-,47-43-,48-44-,53-49-,53-50-,54-51-,54-52-). The datasets from the following experiments are available: 1H nuclear magnetic resonance spectroscopy (1H NMR) infrared absorption spectroscopy (IR) mass spectrometry (MS) 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.6084/m9.figshare.5682643.v1
title: LPC coeficients of the histogram data

description: LPC coefficient of the histograms, each column is a vector of 300 elements, which contain the LPC coefficients of calculated from the RGB, 100 histograms for each colour histogram.
DOI: 10.6084/m9.figshare.5682643.v3
title: LPC input coeficients of the RGB histogram data

description: LPC coefficient of the histograms, each column is a vector of 300 elements, which contain the LPC coefficients of calculated from the RGB, 100 histograms for each colour histogram.
DOI: 10.6084/m9.figshare.5682643.v2
title: LPC coeficients of the RGB histogram data

description: LPC coefficient of the histograms, each column is a vector of 300 elements, which contain the LPC coefficients of calculated from the RGB, 100 histograms for each colour histogram.
DOI: 10.14272/pbdzgvkgaxhyrn-iibwnchysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C56H40N6O4/c1-3-65-55(63)37-19-15-33(16-20-37)49-41-23-27-45(59-41)51(39-13-5-9-35-11-7-31-57-53(35)39)47-29-25-43(61-47)50(34-17-21-38(22-18-34)56(64)66-4-2)44-26-30-48(62-44)52(46-28-24-42(49)60-46)40-14-6-10-36-12-8-32-58-54(36)40/h5-32,59,62H,3-4H2,1-2H3/b49-41-,49-42-,50-43-,50-44-,51-45-,51-47-,52-46-,52-48-

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (126 MHz, CDCl3, ppm): δ = 14.6 (+, 2 × CH3), 61.4 (–, 2 × CH2), 117.9 (Cq), 118.8 (Cq), 121.1 (+, CH), 125.1 (Cq), 127.9 (+, CH), 128.1 (Cq), 129.0 (+, CH), 129.8 (Cq), 134.6 (+, CH), 135.8 (+, CH), 136.2 (+, CH), 141.3 (Cq), 147.3 (Cq), 150.3 (Cq), 150.9 (+, CH), 167.0 (Cq, 2 × COO). (Distribution of remaining 35C on listed signals not clear).
DOI: 10.6084/m9.figshare.5682637
title: Fig 2C-G data

description: Fig 2C-G data:<br>summary data (panels D-G)voltammagram (panel C)text file: explanation of column labels in summary data
DOI: 10.14272/pbdzgvkgaxhyrn-iibwnchysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C56H40N6O4/c1-3-65-55(63)37-19-15-33(16-20-37)49-41-23-27-45(59-41)51(39-13-5-9-35-11-7-31-57-53(35)39)47-29-25-43(61-47)50(34-17-21-38(22-18-34)56(64)66-4-2)44-26-30-48(62-44)52(46-28-24-42(49)60-46)40-14-6-10-36-12-8-32-58-54(36)40/h5-32,59,62H,3-4H2,1-2H3/b49-41-,49-42-,50-43-,50-44-,51-45-,51-47-,52-46-,52-48-

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (500 MHz, CDCl3, ppm): δ = –2.42 (bs, 2H, 2 × NH), 1.52 (t, 3J = 7.1 Hz, 6H, 2 × CH3), 4.54 (q, 3J = 7.1 Hz, 4H, 2 × CH2), 7.40 (dd, 3J = 8.4, 4.0 Hz, 2H, 2 × CHChin-3), 7.96 (dd, 3J = 8.3, 6.9 Hz, 2H, 2 × CHChin-6), 8.26 (d, 3J = 8.3 Hz, 4H, 4 × CHAr), 8.30 (dd, 3J = 8.4, 4J = 1.5 Hz, 2H, 2 × CHChin-5/7), 8.38 (d, 3J = 8.2 Hz, 4H, 4 × CHAr), 8.46 (dd, 3J = 8.4, 4J = 1.8 Hz, 2H, 2 × CHChin-4), 8.51 (d, 3J = 4.7 Hz, 4H, 4 × CHPyr), 8.55 (dd, 3J = 6.9, 4J = 1.5 Hz, 2H, 2 × CHChin-5/7), 8.57 (dd, 3J = 4.0, 4J = 1.8 Hz, 2H, 2 × CHChin-2), 8.66 (d, 3J = 4.8 Hz, 4H, 4 × CHPyr).Impurities: signals of grease (0.80‒0.90 and 1.26 ppm), water (1.54 ppm), acetone (2.17) and CH2Cl2 (5.30 ppm).
DOI: 10.6084/m9.figshare.5682637.v1
title: Fig 2C-G data

description: Fig 2C-G data:<br>summary data (panels D-G)voltammagram (panel C)text file: explanation of column labels in summary data
DOI: 10.14272/pbdzgvkgaxhyrn-iibwnchysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C56H40N6O4/c1-3-65-55(63)37-19-15-33(16-20-37)49-41-23-27-45(59-41)51(39-13-5-9-35-11-7-31-57-53(35)39)47-29-25-43(61-47)50(34-17-21-38(22-18-34)56(64)66-4-2)44-26-30-48(62-44)52(46-28-24-42(49)60-46)40-14-6-10-36-12-8-32-58-54(36)40/h5-32,59,62H,3-4H2,1-2H3/b49-41-,49-42-,50-43-,50-44-,51-45-,51-47-,52-46-,52-48-

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 3313, 2922, 1711, 1605, 1560, 1493, 1475, 1463, 1401, 1384, 1364, 1346, 1306, 1268, 1234, 1220, 1193, 1174, 1098, 1057, 1020, 977, 955, 868, 816, 799, 783, 758, 727, 708, 637 cm–1.
DOI: 10.14272/pbdzgvkgaxhyrn-iibwnchysa-n.1
title: Diethyl 4,4'-(10,20-bis(quinolin-8-yl)porphyrin-5,15-diyl)di-benzoate
title: InChI=1S/C56H40N6O4/c1-3-65-55(63)37-19-15-33(16-20-37)49-41-23-27-45(59-41)51(39-13-5-9-35-11-7-31-57-53(35)39)47-29-25-43(61-47)50(34-17-21-38(22-18-34)56(64)66-4-2)44-26-30-48(62-44)52(46-28-24-42(49)60-46)40-14-6-10-36-12-8-32-58-54(36)40/h5-32,59,62H,3-4H2,1-2H3/b49-41-,49-42-,50-43-,50-44-,51-45-,51-47-,52-46-,52-48-

description: This dataset contains experimental data from a sample (InChI=1S/C56H40N6O4/c1-3-65-55(63)37-19-15-33(16-20-37)49-41-23-27-45(59-41)51(39-13-5-9-35-11-7-31-57-53(35)39)47-29-25-43(61-47)50(34-17-21-38(22-18-34)56(64)66-4-2)44-26-30-48(62-44)52(46-28-24-42(49)60-46)40-14-6-10-36-12-8-32-58-54(36)40/h5-32,59,62H,3-4H2,1-2H3/b49-41-,49-42-,50-43-,50-44-,51-45-,51-47-,52-46-,52-48-). The datasets from the following experiments are available: infrared absorption spectroscopy (IR) 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H nuclear magnetic resonance spectroscopy (1H NMR) 13C nuclear magnetic resonance spectroscopy (13C NMR) mass spectrometry (MS)
DOI: 10.14272/pbdzgvkgaxhyrn-iibwnchysa-n/chmo0000470
title: mass spectrometry (MS) ()
title: InChI=1S/C56H40N6O4/c1-3-65-55(63)37-19-15-33(16-20-37)49-41-23-27-45(59-41)51(39-13-5-9-35-11-7-31-57-53(35)39)47-29-25-43(61-47)50(34-17-21-38(22-18-34)56(64)66-4-2)44-26-30-48(62-44)52(46-28-24-42(49)60-46)40-14-6-10-36-12-8-32-58-54(36)40/h5-32,59,62H,3-4H2,1-2H3/b49-41-,49-42-,50-43-,50-44-,51-45-,51-47-,52-46-,52-48-

description: dataset for mass spectrometry (MS) MS (FAB, 3-NBA): m/z (%) = 860 (64) [M]+, 861 (100) [M + H]+, 862 (59) [M + H]+.HRMS (C46H35O4N8): calc.: 861.3189, found: 861.3189.
DOI: 10.14272/pbdzgvkgaxhyrn-iibwnchysa-n/chmo0000593.1
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C56H40N6O4/c1-3-65-55(63)37-19-15-33(16-20-37)49-41-23-27-45(59-41)51(39-13-5-9-35-11-7-31-57-53(35)39)47-29-25-43(61-47)50(34-17-21-38(22-18-34)56(64)66-4-2)44-26-30-48(62-44)52(46-28-24-42(49)60-46)40-14-6-10-36-12-8-32-58-54(36)40/h5-32,59,62H,3-4H2,1-2H3/b49-41-,49-42-,50-43-,50-44-,51-45-,51-47-,52-46-,52-48-

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, CDCl3, ppm): δ = –2.45 (bs, 2H, 2 × NH), 1.52 (t, 3J = 7.1 Hz, 6H, 2 × CH3), 4.54 (q, 3J = 7.1 Hz, 4H, 2 × CH2), 7.44 (dd, 3J = 8.4, 3J = 4.1 Hz, 2H, 2 × CHChin-3), 7.92 (dd, 3J = 8.3, 7.0 Hz, 2H, 2 × CHChin-6), 8.23–8.31 (m, 6H, 2 × CHChin + 4 × CHAr), 8.35–8.40 (m, 4H, 4 × CHAr), 8.41 (dd, 3J = 7.0, 4J = 1.5 Hz, 2H, 2 × CHChin), 8.47 (dd, 3J = 8.4, 4J = 1.8 Hz, 2H, 2 × CHChin), 8.52 (d, 3J = 4.8 Hz, 4H, 4 × CHPyr), 8.63–8.71 (m, 6H, 2 × CHChin + 4 × CHPyr).Impurities: signals of grease (0.80‒0.90 and 1.26 ppm), water (1.54 ppm), acetone (2.17), CH2Cl2 (5.30 ppm) and minor unknown impurities.
DOI: 10.6084/m9.figshare.5682625
title: R scripts for Fig 2

description: scripts for generating panels in Fig 2
DOI: 10.6084/m9.figshare.5682625.v1
title: R scripts for Fig 2

description: scripts for generating panels in Fig 2
DOI: 10.14272/qxdjodofzbvgjc-rgnlwqaksa-n/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C52H42N4O6/c1-5-61-51(57)33-17-13-31(14-18-33)47-39-21-25-43(53-39)49(35-9-7-11-37(29-35)59-3)45-27-23-41(55-45)48(32-15-19-34(20-16-32)52(58)62-6-2)42-24-28-46(56-42)50(44-26-22-40(47)54-44)36-10-8-12-38(30-36)60-4/h7-30,53,56H,5-6H2,1-4H3/b47-39-,47-40-,48-41-,48-42-,49-43-,49-45-,50-44-,50-46-

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 2927 (vw), 1714 (w), 1603 (vw), 1471 (vw), 1401 (vw), 1365 (vw), 1271 (w), 1199 (vw), 1163 (w), 1098 (w), 1046 (w), 1020 (w), 1002 (vw), 969 (w), 910 (vw), 871 (vw), 802 (w), 777 (w), 762 (w), 734 (w), 702 (w), 396 (vw) cm–1.
DOI: 10.14272/qxdjodofzbvgjc-rgnlwqaksa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C52H42N4O6/c1-5-61-51(57)33-17-13-31(14-18-33)47-39-21-25-43(53-39)49(35-9-7-11-37(29-35)59-3)45-27-23-41(55-45)48(32-15-19-34(20-16-32)52(58)62-6-2)42-24-28-46(56-42)50(44-26-22-40(47)54-44)36-10-8-12-38(30-36)60-4/h7-30,53,56H,5-6H2,1-4H3/b47-39-,47-40-,48-41-,48-42-,49-43-,49-45-,50-44-,50-46-

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, CDCl3, ppm) δ = –2.80 (bs, 2H, 2 × NH), 1.56 (t, 3J = 7.2 Hz, 6H, 2 × CH2CH3), 3.99 (s, 6H, 2 × OCH3), 4.59 (q, 3J = 7.2 Hz, 4H, 2 × CH2), 7.35 (ddd, J = 8.4, 2.6, 1.0 Hz, 2H, 2 × CHArOMe), 7.62–7.69 (m, 2H, 2 × CHArOMe), 7.76–7.84 (m, 4H, 4 × CHArOMe), 8.31 (d, 3J = 8.2 Hz, 4H, 4 × o‑CHAr), 8.46 (d, 3J = 8.3 Hz, 4H, 4 × m‑CHAr), 8.80 (d, 3J = 4.8 Hz, 4H, 4 × CHPyr), 8.92 (d, 3J = 4.8 Hz, 4H, 4 × CHPyr). Impurities: Spectrum contains signals of grease (0.80‒0.90 and 1.26 ppm).
DOI: 10.6084/m9.figshare.5682619
title: Fig 1 data

description: datasets for Fig 1:1. body weights across experiment2. glucose challenge3. area under the curve for glucose challenge4. water vs. HFCS consumption (by cage)<br>