cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.14272/qxjpakpahzfteb-igjflpgisa-n.1
title: C82H50N8Zn2
title: InChI=1S/C82H50N8.2Zn/c1-7-21-51(22-8-1)75-59-35-39-63(83-59)77(53-25-11-3-12-26-53)67-43-47-71(87-67)81(72-48-44-68(88-72)78(54-27-13-4-14-28-54)64-40-36-60(75)84-64)57-33-19-20-34-58(57)82-73-49-45-69(89-73)79(55-29-15-5-16-30-55)65-41-37-61(85-65)76(52-23-9-2-10-24-52)62-38-42-66(86-62)80(56-31-17-6-18-32-56)70-46-50-74(82)90-70;;/h1-50H;;/q-4;2*+2/b75-59-,75-60-,76-61-,76-62-,77-63-,77-67-,78-64-,78-68-,79-65-,79-69-,80-66-,80-70-,81-71-,81-72-,82-73-,82-74-;;

description: This dataset contains experimental data from a sample (InChI=1S/C82H50N8.2Zn/c1-7-21-51(22-8-1)75-59-35-39-63(83-59)77(53-25-11-3-12-26-53)67-43-47-71(87-67)81(72-48-44-68(88-72)78(54-27-13-4-14-28-54)64-40-36-60(75)84-64)57-33-19-20-34-58(57)82-73-49-45-69(89-73)79(55-29-15-5-16-30-55)65-41-37-61(85-65)76(52-23-9-2-10-24-52)62-38-42-66(86-62)80(56-31-17-6-18-32-56)70-46-50-74(82)90-70;;/h1-50H;;/q-4;2*+2/b75-59-,75-60-,76-61-,76-62-,77-63-,77-67-,78-64-,78-68-,79-65-,79-69-,80-66-,80-70-,81-71-,81-72-,82-73-,82-74-;;). 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/qxjpakpahzfteb-igjflpgisa-n/chmo0000470
title: mass spectrometry (MS) ()
title: InChI=1S/C82H50N8.2Zn/c1-7-21-51(22-8-1)75-59-35-39-63(83-59)77(53-25-11-3-12-26-53)67-43-47-71(87-67)81(72-48-44-68(88-72)78(54-27-13-4-14-28-54)64-40-36-60(75)84-64)57-33-19-20-34-58(57)82-73-49-45-69(89-73)79(55-29-15-5-16-30-55)65-41-37-61(85-65)76(52-23-9-2-10-24-52)62-38-42-66(86-62)80(56-31-17-6-18-32-56)70-46-50-74(82)90-70;;/h1-50H;;/q-4;2*+2/b75-59-,75-60-,76-61-,76-62-,77-63-,77-67-,78-64-,78-68-,79-65-,79-69-,80-66-,80-70-,81-71-,81-72-,82-73-,82-74-;;

description: dataset for mass spectrometry (MS) HRMS (Zn2C82H50N8): calcd 1278.2718, found 1278.2724, 1274.2754 (in intensity of 0.64).
DOI: 10.14272/qxjpakpahzfteb-igjflpgisa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C82H50N8.2Zn/c1-7-21-51(22-8-1)75-59-35-39-63(83-59)77(53-25-11-3-12-26-53)67-43-47-71(87-67)81(72-48-44-68(88-72)78(54-27-13-4-14-28-54)64-40-36-60(75)84-64)57-33-19-20-34-58(57)82-73-49-45-69(89-73)79(55-29-15-5-16-30-55)65-41-37-61(85-65)76(52-23-9-2-10-24-52)62-38-42-66(86-62)80(56-31-17-6-18-32-56)70-46-50-74(82)90-70;;/h1-50H;;/q-4;2*+2/b75-59-,75-60-,76-61-,76-62-,77-63-,77-67-,78-64-,78-68-,79-65-,79-69-,80-66-,80-70-,81-71-,81-72-,82-73-,82-74-;;

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (500 MHz, THF-d8) δ = 9.57 (3J = 4.7 Hz, 4H, Hpyrrole), 8.68 (dd, J = 5.7, 3.4 Hz, 2H, Haromatic), 8.56 (3J = 4.6 Hz, 4H, Hpyrrole), 8.45–8.41 (m, 8H, Hpyrrole), 8.21 (dd, J = 5.6, 3.6 Hz, 2H, Haromatic), 8.00–7.96 (m, 2H, Haromatic), 7.89–7.86 (m, 4H, Haromatic), 7.80–7.76 (m, 4H, Haromatic), 7.74–7.67 (m, 8H, Haromatic), 7.65–7.60 (m, 6H, Haromatic), 7.59–7.54 (m, 4H, Haromatic), 7.48–7.43 (m, 2H, Haromatic) ppm. 10.85 (THF), 3.28 (THF-d8 impurity), 2.47(water), 1.44 (CHex), 1.29 (H grease), 0.93–0.82 (H grease), 0.11 (silicon grease) ppm do not belong to the molecule.
DOI: 10.14272/qxjpakpahzfteb-igjflpgisa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C82H50N8.2Zn/c1-7-21-51(22-8-1)75-59-35-39-63(83-59)77(53-25-11-3-12-26-53)67-43-47-71(87-67)81(72-48-44-68(88-72)78(54-27-13-4-14-28-54)64-40-36-60(75)84-64)57-33-19-20-34-58(57)82-73-49-45-69(89-73)79(55-29-15-5-16-30-55)65-41-37-61(85-65)76(52-23-9-2-10-24-52)62-38-42-66(86-62)80(56-31-17-6-18-32-56)70-46-50-74(82)90-70;;/h1-50H;;/q-4;2*+2/b75-59-,75-60-,76-61-,76-62-,77-63-,77-67-,78-64-,78-68-,79-65-,79-69-,80-66-,80-70-,81-71-,81-72-,82-73-,82-74-;;

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (126 MHz, CDCl3) δ = 151.7 (Cq), 150.5 (Cq), 150.3 (Cq), 150.2 (Cq), 144.5 (Cq), 144.4 (Cq), 136.3 (+, CH), 135.5 (+, CH), 135.4 (+, CH), 135.2 (+, CH), 133.9 (Cq), 131.7 (+, CH), 131.6 (+, CH), 131.4 (+, CH), 128.1 (Cq), 127.3 (+, CH), 127.2 (+, CH), 127.1 (+, CH), 120.9 (Cq), missing signals (63C) due to signal overlap. 33.1, 31.2, 30.8 (H grease), 30.5, 27.9 (CHex), 23.7, 14.6, 1.5 (silicon grease) ppm.
DOI: 10.14272/qxjpakpahzfteb-igjflpgisa-n/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C82H50N8.2Zn/c1-7-21-51(22-8-1)75-59-35-39-63(83-59)77(53-25-11-3-12-26-53)67-43-47-71(87-67)81(72-48-44-68(88-72)78(54-27-13-4-14-28-54)64-40-36-60(75)84-64)57-33-19-20-34-58(57)82-73-49-45-69(89-73)79(55-29-15-5-16-30-55)65-41-37-61(85-65)76(52-23-9-2-10-24-52)62-38-42-66(86-62)80(56-31-17-6-18-32-56)70-46-50-74(82)90-70;;/h1-50H;;/q-4;2*+2/b75-59-,75-60-,76-61-,76-62-,77-63-,77-67-,78-64-,78-68-,79-65-,79-69-,80-66-,80-70-,81-71-,81-72-,82-73-,82-74-;;

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 2953, 2918, 2850, 1596, 1523, 1485, 1460, 1441, 1412, 1377, 1366, 1337, 1261, 1225, 1203, 1176, 1156, 1069, 1001, 993, 965, 912, 878, 841, 795, 755, 727, 717, 703, 669, 662, 620 cm–1.
DOI: 10.5519/qd.pr7mi5j8
title: Query on the Natural History Museum Data Portal (data.nhm.ac.uk) (4543778 records)
DOI: 10.14272/burobqjxuqhyns-lkhnkgccsa-m.1
title: C82H50ClFeN8Ni
title: InChI=1S/C82H50N8.ClH.Fe.Ni/c1-7-21-51(22-8-1)75-59-35-39-63(83-59)77(53-25-11-3-12-26-53)67-43-47-71(87-67)81(72-48-44-68(88-72)78(54-27-13-4-14-28-54)64-40-36-60(75)84-64)57-33-19-20-34-58(57)82-73-49-45-69(89-73)79(55-29-15-5-16-30-55)65-41-37-61(85-65)76(52-23-9-2-10-24-52)62-38-42-66(86-62)80(56-31-17-6-18-32-56)70-46-50-74(82)90-70;;;/h1-50H;1H;;/q-4;;+3;+2/p-1/b75-59-,75-60-,76-61-,76-62-,77-63-,77-67-,78-64-,78-68-,79-65-,79-69-,80-66-,80-70-,81-71-,81-72-,82-73-,82-74-;;;

description: This dataset contains experimental data from a sample (InChI=1S/C82H50N8.ClH.Fe.Ni/c1-7-21-51(22-8-1)75-59-35-39-63(83-59)77(53-25-11-3-12-26-53)67-43-47-71(87-67)81(72-48-44-68(88-72)78(54-27-13-4-14-28-54)64-40-36-60(75)84-64)57-33-19-20-34-58(57)82-73-49-45-69(89-73)79(55-29-15-5-16-30-55)65-41-37-61(85-65)76(52-23-9-2-10-24-52)62-38-42-66(86-62)80(56-31-17-6-18-32-56)70-46-50-74(82)90-70;;;/h1-50H;1H;;/q-4;;+3;+2/p-1/b75-59-,75-60-,76-61-,76-62-,77-63-,77-67-,78-64-,78-68-,79-65-,79-69-,80-66-,80-70-,81-71-,81-72-,82-73-,82-74-;;;). The datasets from the following experiments are available: infrared absorption spectroscopy (IR) mass spectrometry (MS)
DOI: 10.14272/burobqjxuqhyns-lkhnkgccsa-m/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C82H50N8.ClH.Fe.Ni/c1-7-21-51(22-8-1)75-59-35-39-63(83-59)77(53-25-11-3-12-26-53)67-43-47-71(87-67)81(72-48-44-68(88-72)78(54-27-13-4-14-28-54)64-40-36-60(75)84-64)57-33-19-20-34-58(57)82-73-49-45-69(89-73)79(55-29-15-5-16-30-55)65-41-37-61(85-65)76(52-23-9-2-10-24-52)62-38-42-66(86-62)80(56-31-17-6-18-32-56)70-46-50-74(82)90-70;;;/h1-50H;1H;;/q-4;;+3;+2/p-1/b75-59-,75-60-,76-61-,76-62-,77-63-,77-67-,78-64-,78-68-,79-65-,79-69-,80-66-,80-70-,81-71-,81-72-,82-73-,82-74-;;;

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 3323 (w), 2956 (w), 2891 (w), 1720 (w), 1442 (m), 1364 (m), 1346 (m), 1184 (s), 1122 (m), 1060 (vs), 1035 (vs), 963 (vs), 924 (vs), 846 (s), 799 (s), 752 (s), 698 (s), 561 (s), 411 (s) cm–1.
DOI: 10.14272/fpupsgzdlxqfjx-lkhnkgccsa-n
title: C82H50Fe2N8O
title: InChI=1S/C82H50N8.2Fe.O/c1-7-21-51(22-8-1)75-59-35-39-63(83-59)77(53-25-11-3-12-26-53)67-43-47-71(87-67)81(72-48-44-68(88-72)78(54-27-13-4-14-28-54)64-40-36-60(75)84-64)57-33-19-20-34-58(57)82-73-49-45-69(89-73)79(55-29-15-5-16-30-55)65-41-37-61(85-65)76(52-23-9-2-10-24-52)62-38-42-66(86-62)80(56-31-17-6-18-32-56)70-46-50-74(82)90-70;;;/h1-50H;;;/q-4;2*+2;/b75-59-,75-60-,76-61-,76-62-,77-63-,77-67-,78-64-,78-68-,79-65-,79-69-,80-66-,80-70-,81-71-,81-72-,82-73-,82-74-;;;

description: This dataset contains experimental data from a sample (InChI=1S/C82H50N8.2Fe.O/c1-7-21-51(22-8-1)75-59-35-39-63(83-59)77(53-25-11-3-12-26-53)67-43-47-71(87-67)81(72-48-44-68(88-72)78(54-27-13-4-14-28-54)64-40-36-60(75)84-64)57-33-19-20-34-58(57)82-73-49-45-69(89-73)79(55-29-15-5-16-30-55)65-41-37-61(85-65)76(52-23-9-2-10-24-52)62-38-42-66(86-62)80(56-31-17-6-18-32-56)70-46-50-74(82)90-70;;;/h1-50H;;;/q-4;2*+2;/b75-59-,75-60-,76-61-,76-62-,77-63-,77-67-,78-64-,78-68-,79-65-,79-69-,80-66-,80-70-,81-71-,81-72-,82-73-,82-74-;;;). The datasets from the following experiments are available: mass spectrometry (MS) infrared absorption spectroscopy (IR)
DOI: 10.14272/fpupsgzdlxqfjx-lkhnkgccsa-n/chmo0000470
title: mass spectrometry (MS) ()
title: InChI=1S/C82H50N8.2Fe.O/c1-7-21-51(22-8-1)75-59-35-39-63(83-59)77(53-25-11-3-12-26-53)67-43-47-71(87-67)81(72-48-44-68(88-72)78(54-27-13-4-14-28-54)64-40-36-60(75)84-64)57-33-19-20-34-58(57)82-73-49-45-69(89-73)79(55-29-15-5-16-30-55)65-41-37-61(85-65)76(52-23-9-2-10-24-52)62-38-42-66(86-62)80(56-31-17-6-18-32-56)70-46-50-74(82)90-70;;;/h1-50H;;;/q-4;2*+2;/b75-59-,75-60-,76-61-,76-62-,77-63-,77-67-,78-64-,78-68-,79-65-,79-69-,80-66-,80-70-,81-71-,81-72-,82-73-,82-74-;;;

description: dataset for mass spectrometry (MS) HRMS (Fe2OC82H50N8): calcd 1274.2807, found: 1274.2840
DOI: 10.14272/hgydnogdzhkghx-igjflpgisa-n.1
title: C82H50Cu2N8
title: InChI=1S/C82H50N8.2Cu/c1-7-21-51(22-8-1)75-59-35-39-63(83-59)77(53-25-11-3-12-26-53)67-43-47-71(87-67)81(72-48-44-68(88-72)78(54-27-13-4-14-28-54)64-40-36-60(75)84-64)57-33-19-20-34-58(57)82-73-49-45-69(89-73)79(55-29-15-5-16-30-55)65-41-37-61(85-65)76(52-23-9-2-10-24-52)62-38-42-66(86-62)80(56-31-17-6-18-32-56)70-46-50-74(82)90-70;;/h1-50H;;/q-4;2*+2/b75-59-,75-60-,76-61-,76-62-,77-63-,77-67-,78-64-,78-68-,79-65-,79-69-,80-66-,80-70-,81-71-,81-72-,82-73-,82-74-;;

description: This dataset contains experimental data from a sample (InChI=1S/C82H50N8.2Cu/c1-7-21-51(22-8-1)75-59-35-39-63(83-59)77(53-25-11-3-12-26-53)67-43-47-71(87-67)81(72-48-44-68(88-72)78(54-27-13-4-14-28-54)64-40-36-60(75)84-64)57-33-19-20-34-58(57)82-73-49-45-69(89-73)79(55-29-15-5-16-30-55)65-41-37-61(85-65)76(52-23-9-2-10-24-52)62-38-42-66(86-62)80(56-31-17-6-18-32-56)70-46-50-74(82)90-70;;/h1-50H;;/q-4;2*+2/b75-59-,75-60-,76-61-,76-62-,77-63-,77-67-,78-64-,78-68-,79-65-,79-69-,80-66-,80-70-,81-71-,81-72-,82-73-,82-74-;;). The datasets from the following experiments are available: infrared absorption spectroscopy (IR) mass spectrometry (MS)
DOI: 10.14272/hgydnogdzhkghx-igjflpgisa-n/chmo0000470
title: mass spectrometry (MS) ()
title: InChI=1S/C82H50N8.2Cu/c1-7-21-51(22-8-1)75-59-35-39-63(83-59)77(53-25-11-3-12-26-53)67-43-47-71(87-67)81(72-48-44-68(88-72)78(54-27-13-4-14-28-54)64-40-36-60(75)84-64)57-33-19-20-34-58(57)82-73-49-45-69(89-73)79(55-29-15-5-16-30-55)65-41-37-61(85-65)76(52-23-9-2-10-24-52)62-38-42-66(86-62)80(56-31-17-6-18-32-56)70-46-50-74(82)90-70;;/h1-50H;;/q-4;2*+2/b75-59-,75-60-,76-61-,76-62-,77-63-,77-67-,78-64-,78-68-,79-65-,79-69-,80-66-,80-70-,81-71-,81-72-,82-73-,82-74-;;

description: dataset for mass spectrometry (MS) HRMS (Cu2C82H50N8): calcd 1274.2753, found 1274.2784, 1272,2750 with an intensity of 0.79.
DOI: 10.14272/hgydnogdzhkghx-igjflpgisa-n/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C82H50N8.2Cu/c1-7-21-51(22-8-1)75-59-35-39-63(83-59)77(53-25-11-3-12-26-53)67-43-47-71(87-67)81(72-48-44-68(88-72)78(54-27-13-4-14-28-54)64-40-36-60(75)84-64)57-33-19-20-34-58(57)82-73-49-45-69(89-73)79(55-29-15-5-16-30-55)65-41-37-61(85-65)76(52-23-9-2-10-24-52)62-38-42-66(86-62)80(56-31-17-6-18-32-56)70-46-50-74(82)90-70;;/h1-50H;;/q-4;2*+2/b75-59-,75-60-,76-61-,76-62-,77-63-,77-67-,78-64-,78-68-,79-65-,79-69-,80-66-,80-70-,81-71-,81-72-,82-73-,82-74-;;

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 3393, 3054, 2953, 2919, 2871, 2850, 1771, 1721, 1459, 1439, 1344, 1203, 1174, 1167, 1069, 1035, 1001, 994, 967, 928, 795, 751, 727, 715, 700, 681, 666, 652, 523 cm–1.
DOI: 10.5281/zenodo.3754159
title: An Annotated Dataset of Stack Overflow Post Edits

description: To improve software engineering, software repositories have been mined for code snippets and bug fixes. Typically, this mining takes place at the level of files or commits. To be able to dig deeper and to extract insights at a higher resolution, we hereby present an annotated dataset that contains over 7 million edits of code and text on Stack Overflow. Our preliminary study indicates that these edits might be a treasure trove for mining information about fine-grained patches, e.g., for the optimisation of non-functional properties.
DOI: 10.5281/zenodo.3755382
title: Sculpted Speech

description: This dataset contains the stimuli heard by participants in a study of sculpted speech. The zip file contains 240 Spanish sentences from the Sharvard corpus in each of eight conditions that vary in the amount of target speech information they contain. For illustration purposes (for those not wanting to download the entire zip), the dataset also contains as separate wav files for one example sentence in each of the eight conditions. The names for these wav files map to the subdirectories as follows: baseline -&gt; 'mix'<br> speech -&gt; 'mask_speech'<br> mix -&gt; 'mask_mix'<br> fine -&gt; 'fine_mix'<br> envelope -&gt; 'fine_masker'<br> ssn -&gt; 'mask_ssn'<br> music -&gt; 'mask_music'<br> compspeech -&gt; 'mask_babble'<br>
DOI: 10.6073/pasta/bbfd12bab9b1538c3172bea4e891f119
title: SBC LTER: Long-term experiment: Kelp Removal: Transect depth data

description: These data summarize depth information (mean, standard deviation and coefficient of variation) for all of the transects surveyed as part of the SBC LTER Long Term Kelp Removal Experiment. All data are expressed in meters, referenced to mean lower low water (MLLW). Each value is the result of 160 observations, four at each meter (n=160). The sampling locations in this dataset are 40 meter transects at four reef sites along the mainland coast of the Santa Barbara Channel, California, USA. These data were recorded in 2010.
DOI: 10.14272/fpupsgzdlxqfjx-lkhnkgccsa-n/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C82H50N8.2Fe.O/c1-7-21-51(22-8-1)75-59-35-39-63(83-59)77(53-25-11-3-12-26-53)67-43-47-71(87-67)81(72-48-44-68(88-72)78(54-27-13-4-14-28-54)64-40-36-60(75)84-64)57-33-19-20-34-58(57)82-73-49-45-69(89-73)79(55-29-15-5-16-30-55)65-41-37-61(85-65)76(52-23-9-2-10-24-52)62-38-42-66(86-62)80(56-31-17-6-18-32-56)70-46-50-74(82)90-70;;;/h1-50H;;;/q-4;2*+2;/b75-59-,75-60-,76-61-,76-62-,77-63-,77-67-,78-64-,78-68-,79-65-,79-69-,80-66-,80-70-,81-71-,81-72-,82-73-,82-74-;;;

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 3350, 2955, 2921, 2851, 1725, 1451, 1259, 1091, 1074, 1055, 1014, 799, 701 cm–1.
DOI: 10.14272/gcdcsjmxkzhski-xzdydvnvsa-n/chmo0000470
title: mass spectrometry (MS) ()
title: InChI=1S/C82H54N8/c1-7-21-51(22-8-1)75-59-35-39-63(83-59)77(53-25-11-3-12-26-53)67-43-47-71(87-67)81(72-48-44-68(88-72)78(54-27-13-4-14-28-54)64-40-36-60(75)84-64)57-33-19-20-34-58(57)82-73-49-45-69(89-73)79(55-29-15-5-16-30-55)65-41-37-61(85-65)76(52-23-9-2-10-24-52)62-38-42-66(86-62)80(56-31-17-6-18-32-56)70-46-50-74(82)90-70/h1-50,83,85,88,90H/b75-59-,75-60-,76-61-,76-62-,77-63-,77-67-,78-64-,78-68-,79-65-,79-69-,80-66-,80-70-,81-71-,81-72-,82-73-,82-74-

description: dataset for mass spectrometry (MS) HRMS (H5C82H50N8): calcd 1151.4544, found 1151.4598.
DOI: 10.14272/gcdcsjmxkzhski-xzdydvnvsa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C82H54N8/c1-7-21-51(22-8-1)75-59-35-39-63(83-59)77(53-25-11-3-12-26-53)67-43-47-71(87-67)81(72-48-44-68(88-72)78(54-27-13-4-14-28-54)64-40-36-60(75)84-64)57-33-19-20-34-58(57)82-73-49-45-69(89-73)79(55-29-15-5-16-30-55)65-41-37-61(85-65)76(52-23-9-2-10-24-52)62-38-42-66(86-62)80(56-31-17-6-18-32-56)70-46-50-74(82)90-70/h1-50,83,85,88,90H/b75-59-,75-60-,76-61-,76-62-,77-63-,77-67-,78-64-,78-68-,79-65-,79-69-,80-66-,80-70-,81-71-,81-72-,82-73-,82-74-

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (500 MHz, THF-d8 ppm) δ = 9.28 (d, 3J = 4.7 Hz, 4H, Hpyrrole), 8.87 (dd, J = 5.7, 3.4 Hz, 2H, Haromatic), 8.39–8.28 (m, 14H, 12Hpyrrole, 2Haromatic), 8.03–7.97 (m, 2H Haromatic), 7.80 (d, 3J = 7.3 Hz, 4H, Haromatic), 7.74–7.69 (m, 4H, Haromatic), 7.68–7.52 (m, 14H), Haromatic, 7.50–7.40 (m, 6H, Haromatic), –3.82 (bs, 4H, NH) . 10.85 (THF), 3.26 (THF-d8 impurity), 2.46 (water), 1.29 (H grease), 0.92–0.83 (H grease), 0.11 (silicon grease) ppm do not belong to the molecule.
DOI: 10.14272/gcdcsjmxkzhski-xzdydvnvsa-n/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C82H54N8/c1-7-21-51(22-8-1)75-59-35-39-63(83-59)77(53-25-11-3-12-26-53)67-43-47-71(87-67)81(72-48-44-68(88-72)78(54-27-13-4-14-28-54)64-40-36-60(75)84-64)57-33-19-20-34-58(57)82-73-49-45-69(89-73)79(55-29-15-5-16-30-55)65-41-37-61(85-65)76(52-23-9-2-10-24-52)62-38-42-66(86-62)80(56-31-17-6-18-32-56)70-46-50-74(82)90-70/h1-50,83,85,88,90H/b75-59-,75-60-,76-61-,76-62-,77-63-,77-67-,78-64-,78-68-,79-65-,79-69-,80-66-,80-70-,81-71-,81-72-,82-73-,82-74-

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 3309, 3055, 2921, 2850, 1714, 1693, 1595, 1470, 1439, 1349, 1179, 1156, 1071, 1033, 1001, 980, 965, 798, 749, 727, 700 cm–1.
DOI: 10.14272/wgeqyaufpwfrfw-pbdmmgffsa-l.1
title: C82H50Cl2Mn2N8
title: InChI=1S/C82H50N8.2ClH.2Mn/c1-7-21-51(22-8-1)75-59-35-39-63(83-59)77(53-25-11-3-12-26-53)67-43-47-71(87-67)81(72-48-44-68(88-72)78(54-27-13-4-14-28-54)64-40-36-60(75)84-64)57-33-19-20-34-58(57)82-73-49-45-69(89-73)79(55-29-15-5-16-30-55)65-41-37-61(85-65)76(52-23-9-2-10-24-52)62-38-42-66(86-62)80(56-31-17-6-18-32-56)70-46-50-74(82)90-70;;;;/h1-50H;2*1H;;/q-4;;;2*+3/p-2/b75-59-,75-60-,76-61-,76-62-,77-63-,77-67-,78-64-,78-68-,79-65-,79-69-,80-66-,80-70-,81-71-,81-72-,82-73-,82-74-;;;;

description: This dataset contains experimental data from a sample (InChI=1S/C82H50N8.2ClH.2Mn/c1-7-21-51(22-8-1)75-59-35-39-63(83-59)77(53-25-11-3-12-26-53)67-43-47-71(87-67)81(72-48-44-68(88-72)78(54-27-13-4-14-28-54)64-40-36-60(75)84-64)57-33-19-20-34-58(57)82-73-49-45-69(89-73)79(55-29-15-5-16-30-55)65-41-37-61(85-65)76(52-23-9-2-10-24-52)62-38-42-66(86-62)80(56-31-17-6-18-32-56)70-46-50-74(82)90-70;;;;/h1-50H;2*1H;;/q-4;;;2*+3/p-2/b75-59-,75-60-,76-61-,76-62-,77-63-,77-67-,78-64-,78-68-,79-65-,79-69-,80-66-,80-70-,81-71-,81-72-,82-73-,82-74-;;;;). The datasets from the following experiments are available: infrared absorption spectroscopy (IR) mass spectrometry (MS)
DOI: 10.14272/wgeqyaufpwfrfw-pbdmmgffsa-l/chmo0000470
title: mass spectrometry (MS) ()
title: InChI=1S/C82H50N8.2ClH.2Mn/c1-7-21-51(22-8-1)75-59-35-39-63(83-59)77(53-25-11-3-12-26-53)67-43-47-71(87-67)81(72-48-44-68(88-72)78(54-27-13-4-14-28-54)64-40-36-60(75)84-64)57-33-19-20-34-58(57)82-73-49-45-69(89-73)79(55-29-15-5-16-30-55)65-41-37-61(85-65)76(52-23-9-2-10-24-52)62-38-42-66(86-62)80(56-31-17-6-18-32-56)70-46-50-74(82)90-70;;;;/h1-50H;2*1H;;/q-4;;;2*+3/p-2/b75-59-,75-60-,76-61-,76-62-,77-63-,77-67-,78-64-,78-68-,79-65-,79-69-,80-66-,80-70-,81-71-,81-72-,82-73-,82-74-;;;;

description: dataset for mass spectrometry (MS) HRMS (Mn2ClC82H50N8): calcd 1291.2602, found 1291.2617, 1326.2296 – 34.9694 (M – Cl-)
DOI: 10.14272/wgeqyaufpwfrfw-pbdmmgffsa-l/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C82H50N8.2ClH.2Mn/c1-7-21-51(22-8-1)75-59-35-39-63(83-59)77(53-25-11-3-12-26-53)67-43-47-71(87-67)81(72-48-44-68(88-72)78(54-27-13-4-14-28-54)64-40-36-60(75)84-64)57-33-19-20-34-58(57)82-73-49-45-69(89-73)79(55-29-15-5-16-30-55)65-41-37-61(85-65)76(52-23-9-2-10-24-52)62-38-42-66(86-62)80(56-31-17-6-18-32-56)70-46-50-74(82)90-70;;;;/h1-50H;2*1H;;/q-4;;;2*+3/p-2/b75-59-,75-60-,76-61-,76-62-,77-63-,77-67-,78-64-,78-68-,79-65-,79-69-,80-66-,80-70-,81-71-,81-72-,82-73-,82-74-;;;;

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 3350, 2955, 2921, 2851, 1725, 1451, 1259, 1091, 1074, 1055, 1014, 799, 701 cm–1.
DOI: 10.21227/narx-tx73
title: Deep Xi Test Set

description: Noisy-speech set used to test Deep Xi (https://github.com/anicolson/DeepXi). The clean speech and noise used to create the noisy-speech set are also available. The clean-speech recordings are from Librispeech test-clean (http://www.openslr.org/12/). The noise recordings are from the RSG-10 noise database (http://www.steeneken.nl/wp-content/uploads/2014/04/RSG-10_Noise-data-base.pdf) and the Urban Sound dataset (http://www.justinsalamon.com/uploads/4/3/9/4/4394963/salamon_urbansound_acmmm14.pdf).The noise recordings are as follows: 26270 - A recording of street music. It is recording no. 26,270 from the Urband Sound dataset.SIGNAL019 - A recording of voice babble from the RSG-10 dataset.SIGNAL020 - A recording of an F16 fighter jet from the RSG-10 dataset.SIGNAL021 - A recording of factory welding from the RSG-10 dataset.
DOI: 10.21227/tamf-gk41
title: Test Set From 10.1016/j.specom.2019.06.002

description: This is the noisy-speech test set used in the original Deep Xi paper: https://doi.org/10.1016/j.specom.2019.06.002. The clean speech and noise used to create the noisy-speech set are also available. The clean-speech recordings are from the TSP speech database (http://www-mmsp.ece.mcgill.ca/Documents/Data/TSP-Speech-Database/TSP-Speech-Database.pdf). The noise recordings are from the RSG-10 noise database (http://www.steeneken.nl/wp-content/uploads/2014/04/RSG-10_Noise-data-base.pdf) and the Urban Sound dataset (http://www.justinsalamon.com/uploads/4/3/9/4/4394963/salamon_urbansound_acmmm14.pdf). The noise recordings are as follows:26270 - A recording of street music. It is recording no. 26,270 from the Urband Sound dataset.SIGNAL019 - A recording of voice babble from the RSG-10 dataset.SIGNAL020 - A recording of an F16 fighter jet from the RSG-10 dataset.SIGNAL021 - A recording of factory welding from the RSG-10 dataset.
DOI: 10.14272/gcdcsjmxkzhski-xzdydvnvsa-n.1
title: 1-(5,15,20-triphenylporphyrin-10-yl)-2-(10,15,20-triphenylporphyrin-5-yl)benzene
title: InChI=1S/C82H54N8/c1-7-21-51(22-8-1)75-59-35-39-63(83-59)77(53-25-11-3-12-26-53)67-43-47-71(87-67)81(72-48-44-68(88-72)78(54-27-13-4-14-28-54)64-40-36-60(75)84-64)57-33-19-20-34-58(57)82-73-49-45-69(89-73)79(55-29-15-5-16-30-55)65-41-37-61(85-65)76(52-23-9-2-10-24-52)62-38-42-66(86-62)80(56-31-17-6-18-32-56)70-46-50-74(82)90-70/h1-50,83,85,88,90H/b75-59-,75-60-,76-61-,76-62-,77-63-,77-67-,78-64-,78-68-,79-65-,79-69-,80-66-,80-70-,81-71-,81-72-,82-73-,82-74-

description: This dataset contains experimental data from a sample (InChI=1S/C82H54N8/c1-7-21-51(22-8-1)75-59-35-39-63(83-59)77(53-25-11-3-12-26-53)67-43-47-71(87-67)81(72-48-44-68(88-72)78(54-27-13-4-14-28-54)64-40-36-60(75)84-64)57-33-19-20-34-58(57)82-73-49-45-69(89-73)79(55-29-15-5-16-30-55)65-41-37-61(85-65)76(52-23-9-2-10-24-52)62-38-42-66(86-62)80(56-31-17-6-18-32-56)70-46-50-74(82)90-70/h1-50,83,85,88,90H/b75-59-,75-60-,76-61-,76-62-,77-63-,77-67-,78-64-,78-68-,79-65-,79-69-,80-66-,80-70-,81-71-,81-72-,82-73-,82-74-). The datasets from the following experiments are available: 13C nuclear magnetic resonance spectroscopy (13C NMR) mass spectrometry (MS) infrared absorption spectroscopy (IR) 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/gcdcsjmxkzhski-xzdydvnvsa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C82H54N8/c1-7-21-51(22-8-1)75-59-35-39-63(83-59)77(53-25-11-3-12-26-53)67-43-47-71(87-67)81(72-48-44-68(88-72)78(54-27-13-4-14-28-54)64-40-36-60(75)84-64)57-33-19-20-34-58(57)82-73-49-45-69(89-73)79(55-29-15-5-16-30-55)65-41-37-61(85-65)76(52-23-9-2-10-24-52)62-38-42-66(86-62)80(56-31-17-6-18-32-56)70-46-50-74(82)90-70/h1-50,83,85,88,90H/b75-59-,75-60-,76-61-,76-62-,77-63-,77-67-,78-64-,78-68-,79-65-,79-69-,80-66-,80-70-,81-71-,81-72-,82-73-,82-74-

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (126 MHz, THF-d8, ppm) δ = 146.7 (Cq), 143.1 (Cq), 143.1 (Cq), 135.5 (+, CH), 135.2 (+, CH), 135.1 (+, CH), 135.0 (+, CH), 128.4 (Cq), 128.2 (Cq), 127.5 (+, CH), 127.5 (+, CH), 127.4 (+, CH), 120.6 (Cq), 120.2 (Cq), 119.1 (Cq). Missing signals (67C) due to signal overlap.