cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.14272/radswvotylgrbw-qurymoassa-n.1
title: C53H36N6Ni
title: InChI=1S/C53H36N6.Ni/c1-4-14-34(15-5-1)49-41-24-26-43(56-41)50(35-16-6-2-7-17-35)45-28-30-47(58-45)53(38-21-11-10-20-37(38)52(39-22-12-32-54-39)40-23-13-33-55-40)48-31-29-46(59-48)51(36-18-8-3-9-19-36)44-27-25-42(49)57-44;/h1-33,52,54-55H;/q-2;+2/b49-41-,49-42-,50-43-,50-45-,51-44-,51-46-,53-47-,53-48-;

description: This dataset contains experimental data from a sample (InChI=1S/C53H36N6.Ni/c1-4-14-34(15-5-1)49-41-24-26-43(56-41)50(35-16-6-2-7-17-35)45-28-30-47(58-45)53(38-21-11-10-20-37(38)52(39-22-12-32-54-39)40-23-13-33-55-40)48-31-29-46(59-48)51(36-18-8-3-9-19-36)44-27-25-42(49)57-44;/h1-33,52,54-55H;/q-2;+2/b49-41-,49-42-,50-43-,50-45-,51-44-,51-46-,53-47-,53-48-;). The datasets from the following experiments are available: 1H nuclear magnetic resonance spectroscopy (1H NMR) 13C nuclear magnetic resonance spectroscopy (13C NMR) infrared absorption spectroscopy (IR) mass spectrometry (MS)
DOI: 10.34808/twre-rn97
title: MODALITY corpus - SPEAKER 42 - SEQUENCE S1

description: The MODALITY corpus is one of the multimodal database of word recordings in English. It consists of over 30 hours of multimodal recordings. The database contains high-resolution, high-framerate stereoscopic video streams and audio signals obtained from a microphone array and a laptop microphone. The corpus can be employed to develop an AVSR system, as every utterance was labelled. Recordings in noisy conditions can be used to test the robustness of speech recognition systems.
The language material was based on a remote control scenario and it includes 231 words -numbers, names of months and days, a set of verbs and nouns related to a computer device control. They were read by speakers as separated words and sequences resulting in a set of 12 recording sessions per speaker. Half of the sessions were recorded in quiet conditions, the other half contained three kinds of intrusive signals (traffic, babble and factory noise).
The corpus includes recordings of 42 speakers (33 male, 9 female). The participants include 20 students and staff of Multimedia Systems Department of the Gdańsk University of Technology, 5 students of the Institute of English and American Studies of the University of Gdańsk, and 17 native English speakers.
The dataset consist of recordings and visual features for SPEAKER 42:
sex: woman
native speaker: no
age: 24
The test material: SEQUENCE S1
All recordings for all speakers are available at http://www.modality-corpus.org/  Sample still from the corpus(SPEAKER 42) Due to the size of the corpus (approx. 2.5 TB of data), every speaker’s recording was placed in a separate zip file of the size approx. 4-7 GB each.
The recordings were organized according to the speakers’ language skills. The group A (17 speakers) consists of native-speakers. Non-native speakers recordings (Polish nationals) were placed in the Group B (25 speakers).
The audio files use the Waveform Audio File Format (.wav), and contain a single PCM audio stream sampled at 44.1 kSa/s with 16-bit depth. The video files utilize the Matroska Multimedia Container Format (.mkv) in which a video stream in 1080p resolution, captured at 100 fps was placed after being compressed with h.264 codec (using High 4:4:4 profile). The ‘.lab’ files are text files containing the information on word positions in audio files, and follow the HTK label format. Each line of a ‘.lab’ file contains the actual label preceded by start and end times (in 100 ns units) e.g. : 1239620000 1244790000 FIVE which denotes the word “five”, occurring between the 123.962 s and 124.479 s of audio.Word-accurate SNR values calculated for every recording are also included in the ZIP file.
DOI: 10.14272/wgfbngvgiizzae-smdkebrusa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C120H72N12.3Pd/c1-9-29-73(30-10-1)109-85-49-53-89(121-85)111(75-33-13-3-14-34-75)93-57-65-101(125-93)117(102-66-58-94(126-102)112(76-35-15-4-16-36-76)90-54-50-86(109)122-90)81-45-25-27-47-83(81)119-105-69-61-97(129-105)115(79-41-21-7-22-42-79)99-63-71-107(131-99)120(108-72-64-100(132-108)116(80-43-23-8-24-44-80)98-62-70-106(119)130-98)84-48-28-26-46-82(84)118-103-67-59-95(127-103)113(77-37-17-5-18-38-77)91-55-51-87(123-91)110(74-31-11-2-12-32-74)88-52-56-92(124-88)114(78-39-19-6-20-40-78)96-60-68-104(118)128-96;;;/h1-72H;;;/q-6;3*+2/b109-85-,109-86-,110-87-,110-88-,111-89-,111-93-,112-90-,112-94-,113-91-,113-95-,114-92-,114-96-,115-97-,115-99-,116-98-,116-100-,117-101-,117-102-,118-103-,118-104-,119-105-,119-106-,120-107-,120-108-;;;

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (500 MHz, DCM-d2, ppm) δ = 9.07 (d, 3J = 5.0 Hz, 4H, Hpyrrole), 9.03 (d, 3J = 5.0 Hz, 4H, Hpyrrole), 8.50 (d, 3J = 4.9 Hz, 4H, Hpyrrole), 8.46–8.43 (m, 2H, Hlinker-benzene), 8.42–8.39 (m, 2H, Hlinker-benzene), 8.16 (d, 3J = 4.9 Hz, 4H, Hpyrrole), 8.14 (d, 3J = 5.0 Hz, 4H, Hpyrrole), 8.06–8.03 (m, 4H, Hlinker-benzene), 8.02 (d, 3J = 5.0 Hz, 4H, Hpyrrole), 7.98–7.95 (m, 2H, Haromatic), 7.75–7.72 (m, 2H, Haromatic), 7.71 (dt, J = 7.5, 1.4 Hz, 2H, Haromatic), 7.69–7.66 (m, 2H, Haromatic), 7.65–7.58 (m, 6H, Haromatic), 7.57–7.52 (m, 2H, Haromatic), 7.50–7.47 (m, 4H, Haromatic), 7.46–7.38 (m, 10H, Haromatic), 7.19 (dd, J = 7.4, 1.4 Hz, 2H, Haromatic), 6.57 (d, 3J = 7.3 Hz, 4H, Haromatic), 6.50 (dd, J = 7.3, 1.7 Hz, 4H, Haromatic). Impurities: CHCl3 [ppm]: 7.32, DCM-d2 [ppm]: 2.32–1.92 (m), H2O [ppm]: 1.53 (s), H grease [ppm]: 1.37–1.01, 0.92–0.78, silicon grease [ppm] 0.08 (s), other impurities [ppm]: 7.25 (d), 6.96 (d), 4.03 (q), 3.18 (q), 2.91 (s), 2.82 (s). We estimate that unassigned H-atom contributions to the NMR spectrum were &lt; 5% overall by hydrogen content.
DOI: 10.34808/h2zx-5a25
title: MODALITY corpus - SPEAKER 42 - COMMANDS C1

description: The MODALITY corpus is one of the multimodal database of word recordings in English. It consists of over 30 hours of multimodal recordings. The database contains high-resolution, high-framerate stereoscopic video streams and audio signals obtained from a microphone array and a laptop microphone. The corpus can be employed to develop an AVSR system, as every utterance was labelled. Recordings in noisy conditions can be used to test the robustness of speech recognition systems.
The language material was based on a remote control scenario and it includes 231 words -numbers, names of months and days, a set of verbs and nouns related to a computer device control. They were read by speakers as separated words and sequences resulting in a set of 12 recording sessions per speaker. Half of the sessions were recorded in quiet conditions, the other half contained three kinds of intrusive signals (traffic, babble and factory noise).
The corpus includes recordings of 42 speakers (33 male, 9 female). The participants include 20 students and staff of Multimedia Systems Department of the Gdańsk University of Technology, 5 students of the Institute of English and American Studies of the University of Gdańsk, and 17 native English speakers.
The dataset consist of recordings and visual features for SPEAKER 42:
sex: woman
native speaker: no
age: 24
The test material: COMMANDS C1
All recordings for all speakers are available at http://www.modality-corpus.org/  Sample still from the corpus(SPEAKER 42) Due to the size of the corpus (approx. 2.5 TB of data), every speaker’s recording was placed in a separate zip file of the size approx. 4-7 GB each.
The recordings were organized according to the speakers’ language skills. The group A (17 speakers) consists of native-speakers. Non-native speakers recordings (Polish nationals) were placed in the Group B (25 speakers).
The audio files use the Waveform Audio File Format (.wav), and contain a single PCM audio stream sampled at 44.1 kSa/s with 16-bit depth. The video files utilize the Matroska Multimedia Container Format (.mkv) in which a video stream in 1080p resolution, captured at 100 fps was placed after being compressed with h.264 codec (using High 4:4:4 profile). The ‘.lab’ files are text files containing the information on word positions in audio files, and follow the HTK label format. Each line of a ‘.lab’ file contains the actual label preceded by start and end times (in 100 ns units) e.g. : 1239620000 1244790000 FIVE which denotes the word “five”, occurring between the 123.962 s and 124.479 s of audio.Word-accurate SNR values calculated for every recording are also included in the ZIP file.
DOI: 10.14272/wgfbngvgiizzae-smdkebrusa-n/chmo0000470
title: mass spectrometry (MS) ()
title: InChI=1S/C120H72N12.3Pd/c1-9-29-73(30-10-1)109-85-49-53-89(121-85)111(75-33-13-3-14-34-75)93-57-65-101(125-93)117(102-66-58-94(126-102)112(76-35-15-4-16-36-76)90-54-50-86(109)122-90)81-45-25-27-47-83(81)119-105-69-61-97(129-105)115(79-41-21-7-22-42-79)99-63-71-107(131-99)120(108-72-64-100(132-108)116(80-43-23-8-24-44-80)98-62-70-106(119)130-98)84-48-28-26-46-82(84)118-103-67-59-95(127-103)113(77-37-17-5-18-38-77)91-55-51-87(123-91)110(74-31-11-2-12-32-74)88-52-56-92(124-88)114(78-39-19-6-20-40-78)96-60-68-104(118)128-96;;;/h1-72H;;;/q-6;3*+2/b109-85-,109-86-,110-87-,110-88-,111-89-,111-93-,112-90-,112-94-,113-91-,113-95-,114-92-,114-96-,115-97-,115-99-,116-98-,116-100-,117-101-,117-102-,118-103-,118-104-,119-105-,119-106-,120-107-,120-108-;;;

description: dataset for mass spectrometry (MS) HRMS (C120H72N12Pd3): Calcd 1998.3107, Found 1998.3202. Peaks with higher mass do all have similar isotope pattern and can be assigned to small molecule adducts.
DOI: 10.14272/wgfbngvgiizzae-smdkebrusa-n.1
title: C120H72N12Pd3
title: InChI=1S/C120H72N12.3Pd/c1-9-29-73(30-10-1)109-85-49-53-89(121-85)111(75-33-13-3-14-34-75)93-57-65-101(125-93)117(102-66-58-94(126-102)112(76-35-15-4-16-36-76)90-54-50-86(109)122-90)81-45-25-27-47-83(81)119-105-69-61-97(129-105)115(79-41-21-7-22-42-79)99-63-71-107(131-99)120(108-72-64-100(132-108)116(80-43-23-8-24-44-80)98-62-70-106(119)130-98)84-48-28-26-46-82(84)118-103-67-59-95(127-103)113(77-37-17-5-18-38-77)91-55-51-87(123-91)110(74-31-11-2-12-32-74)88-52-56-92(124-88)114(78-39-19-6-20-40-78)96-60-68-104(118)128-96;;;/h1-72H;;;/q-6;3*+2/b109-85-,109-86-,110-87-,110-88-,111-89-,111-93-,112-90-,112-94-,113-91-,113-95-,114-92-,114-96-,115-97-,115-99-,116-98-,116-100-,117-101-,117-102-,118-103-,118-104-,119-105-,119-106-,120-107-,120-108-;;;

description: This dataset contains experimental data from a sample (InChI=1S/C120H72N12.3Pd/c1-9-29-73(30-10-1)109-85-49-53-89(121-85)111(75-33-13-3-14-34-75)93-57-65-101(125-93)117(102-66-58-94(126-102)112(76-35-15-4-16-36-76)90-54-50-86(109)122-90)81-45-25-27-47-83(81)119-105-69-61-97(129-105)115(79-41-21-7-22-42-79)99-63-71-107(131-99)120(108-72-64-100(132-108)116(80-43-23-8-24-44-80)98-62-70-106(119)130-98)84-48-28-26-46-82(84)118-103-67-59-95(127-103)113(77-37-17-5-18-38-77)91-55-51-87(123-91)110(74-31-11-2-12-32-74)88-52-56-92(124-88)114(78-39-19-6-20-40-78)96-60-68-104(118)128-96;;;/h1-72H;;;/q-6;3*+2/b109-85-,109-86-,110-87-,110-88-,111-89-,111-93-,112-90-,112-94-,113-91-,113-95-,114-92-,114-96-,115-97-,115-99-,116-98-,116-100-,117-101-,117-102-,118-103-,118-104-,119-105-,119-106-,120-107-,120-108-;;;). The datasets from the following experiments are available: 1H nuclear magnetic resonance spectroscopy (1H NMR) 13C nuclear magnetic resonance spectroscopy (13C NMR) infrared absorption spectroscopy (IR) mass spectrometry (MS)
DOI: 10.14272/wgfbngvgiizzae-smdkebrusa-n/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C120H72N12.3Pd/c1-9-29-73(30-10-1)109-85-49-53-89(121-85)111(75-33-13-3-14-34-75)93-57-65-101(125-93)117(102-66-58-94(126-102)112(76-35-15-4-16-36-76)90-54-50-86(109)122-90)81-45-25-27-47-83(81)119-105-69-61-97(129-105)115(79-41-21-7-22-42-79)99-63-71-107(131-99)120(108-72-64-100(132-108)116(80-43-23-8-24-44-80)98-62-70-106(119)130-98)84-48-28-26-46-82(84)118-103-67-59-95(127-103)113(77-37-17-5-18-38-77)91-55-51-87(123-91)110(74-31-11-2-12-32-74)88-52-56-92(124-88)114(78-39-19-6-20-40-78)96-60-68-104(118)128-96;;;/h1-72H;;;/q-6;3*+2/b109-85-,109-86-,110-87-,110-88-,111-89-,111-93-,112-90-,112-94-,113-91-,113-95-,114-92-,114-96-,115-97-,115-99-,116-98-,116-100-,117-101-,117-102-,118-103-,118-104-,119-105-,119-106-,120-107-,120-108-;;;

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 2955 (s), 2922 (vs), 2853 (s), 1660 (w), 1598 (w), 1538 (vw), 1460 (w), 1442 (w), 1378 (w), 1351 (w), 1310 (w), 1261 (m), 1078 (s), 1013 (vs), 970 (w), 868 (w), 795 (vs), 751 (m), 724 (w), 711 (s), 703 (s), 664 (w), 533 (w), 404 (w), 385 (w) cm–1.
DOI: 10.14272/wgfbngvgiizzae-smdkebrusa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C120H72N12.3Pd/c1-9-29-73(30-10-1)109-85-49-53-89(121-85)111(75-33-13-3-14-34-75)93-57-65-101(125-93)117(102-66-58-94(126-102)112(76-35-15-4-16-36-76)90-54-50-86(109)122-90)81-45-25-27-47-83(81)119-105-69-61-97(129-105)115(79-41-21-7-22-42-79)99-63-71-107(131-99)120(108-72-64-100(132-108)116(80-43-23-8-24-44-80)98-62-70-106(119)130-98)84-48-28-26-46-82(84)118-103-67-59-95(127-103)113(77-37-17-5-18-38-77)91-55-51-87(123-91)110(74-31-11-2-12-32-74)88-52-56-92(124-88)114(78-39-19-6-20-40-78)96-60-68-104(118)128-96;;;/h1-72H;;;/q-6;3*+2/b109-85-,109-86-,110-87-,110-88-,111-89-,111-93-,112-90-,112-94-,113-91-,113-95-,114-92-,114-96-,115-97-,115-99-,116-98-,116-100-,117-101-,117-102-,118-103-,118-104-,119-105-,119-106-,120-107-,120-108-;;;

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (126 MHz, DCM-d2, ppm) : δ = 143.9 (Cq), 141.9 (Cq), 141.7 (Cq), 141.5 (Cq), 141.5 (Cq), 141.4 (Cq), 140.9 (Cq), 140.8 (Cq), 136.8 (Cq), 136.5 (Cq), 134.7 (+, CH), 134.4 (+, CH), 133.9 (+, CH), 133.9 (+, CH), 131.8 (+, CH), 131.7 (+, CH), 131.1 (+, CH), 130.9 (+, CH), 130.5 (+, CH), 130.3 (+, CH), 127.7 (+, CH), 127.2 (+, CH), 127.2 (+, CH), 126.9 (+, CH), 126.6 (+, CH), 122.0 (Cq), 121.4 (Cq), 121.2 (Cq), 120.8 (Cq), 120.4 (Cq). Missing signals (90C) due to symmetry and signal overlap. Impurities: CDCl3 [ppm]: 77.9, H grease [ppm]: 30.3 silicon grease [ppm]: 1.3, other impurities [ppm]: 37.6, 33.3, 32.5, 30.6, 29.9, 27.6, 23.3, 14.5 ppm.
DOI: 10.34808/xe10-f380
title: MODALITY corpus - SPEAKER 41 - COMMANDS C1

description: The MODALITY corpus is one of the multimodal database of word recordings in English. It consists of over 30 hours of multimodal recordings. The database contains high-resolution, high-framerate stereoscopic video streams and audio signals obtained from a microphone array and a laptop microphone. The corpus can be employed to develop an AVSR system, as every utterance was labelled. Recordings in noisy conditions can be used to test the robustness of speech recognition systems.
The language material was based on a remote control scenario and it includes 231 words -numbers, names of months and days, a set of verbs and nouns related to a computer device control. They were read by speakers as separated words and sequences resulting in a set of 12 recording sessions per speaker. Half of the sessions were recorded in quiet conditions, the other half contained three kinds of intrusive signals (traffic, babble and factory noise).
The corpus includes recordings of 42 speakers (33 male, 9 female). The participants include 20 students and staff of Multimedia Systems Department of the Gdańsk University of Technology, 5 students of the Institute of English and American Studies of the University of Gdańsk, and 17 native English speakers.
The dataset consist of recordings and visual features for SPEAKER 41:
sex: man
native speaker: yes
age: 14
The test material: COMMANDS C1
All recordings for all speakers are available at http://www.modality-corpus.org/  Sample still from the corpus(SPEAKER 41) Due to the size of the corpus (approx. 2.5 TB of data), every speaker’s recording was placed in a separate zip file of the size approx. 4-7 GB each.
The recordings were organized according to the speakers’ language skills. The group A (17 speakers) consists of native-speakers. Non-native speakers recordings (Polish nationals) were placed in the Group B (25 speakers).
The audio files use the Waveform Audio File Format (.wav), and contain a single PCM audio stream sampled at 44.1 kSa/s with 16-bit depth. The video files utilize the Matroska Multimedia Container Format (.mkv) in which a video stream in 1080p resolution, captured at 100 fps was placed after being compressed with h.264 codec (using High 4:4:4 profile). The ‘.lab’ files are text files containing the information on word positions in audio files, and follow the HTK label format. Each line of a ‘.lab’ file contains the actual label preceded by start and end times (in 100 ns units) e.g. : 1239620000 1244790000 FIVE which denotes the word “five”, occurring between the 123.962 s and 124.479 s of audio.Word-accurate SNR values calculated for every recording are also included in the ZIP file.
DOI: 10.14272/mgtqloolbarggw-fotjxgmtsa-n/chmo0000470
title: mass spectrometry (MS) ()
title: InChI=1S/C120H78N12/c1-9-29-73(30-10-1)109-85-49-53-89(121-85)111(75-33-13-3-14-34-75)93-57-65-101(125-93)117(102-66-58-94(126-102)112(76-35-15-4-16-36-76)90-54-50-86(109)122-90)81-45-25-27-47-83(81)119-105-69-61-97(129-105)115(79-41-21-7-22-42-79)99-63-71-107(131-99)120(108-72-64-100(132-108)116(80-43-23-8-24-44-80)98-62-70-106(119)130-98)84-48-28-26-46-82(84)118-103-67-59-95(127-103)113(77-37-17-5-18-38-77)91-55-51-87(123-91)110(74-31-11-2-12-32-74)88-52-56-92(124-88)114(78-39-19-6-20-40-78)96-60-68-104(118)128-96/h1-72,121,123,126,128-129,132H/b109-85-,109-86-,110-87-,110-88-,111-89-,111-93-,112-90-,112-94-,113-91-,113-95-,114-92-,114-96-,115-97-,115-99-,116-98-,116-100-,117-101-,117-102-,118-103-,118-104-,119-105-,119-106-,120-107-,120-108-

description: dataset for mass spectrometry (MS) HRMS (C120H78N12H): Calcd 1687.6551, Found 1687.6552.
DOI: 10.14272/mgtqloolbarggw-fotjxgmtsa-n/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C120H78N12/c1-9-29-73(30-10-1)109-85-49-53-89(121-85)111(75-33-13-3-14-34-75)93-57-65-101(125-93)117(102-66-58-94(126-102)112(76-35-15-4-16-36-76)90-54-50-86(109)122-90)81-45-25-27-47-83(81)119-105-69-61-97(129-105)115(79-41-21-7-22-42-79)99-63-71-107(131-99)120(108-72-64-100(132-108)116(80-43-23-8-24-44-80)98-62-70-106(119)130-98)84-48-28-26-46-82(84)118-103-67-59-95(127-103)113(77-37-17-5-18-38-77)91-55-51-87(123-91)110(74-31-11-2-12-32-74)88-52-56-92(124-88)114(78-39-19-6-20-40-78)96-60-68-104(118)128-96/h1-72,121,123,126,128-129,132H/b109-85-,109-86-,110-87-,110-88-,111-89-,111-93-,112-90-,112-94-,113-91-,113-95-,114-92-,114-96-,115-97-,115-99-,116-98-,116-100-,117-101-,117-102-,118-103-,118-104-,119-105-,119-106-,120-107-,120-108-

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 2953 (w), 2919 (s), 2854 (m), 1666 (w), 1596 (w), 1468 (m), 1439 (m), 1349 (m), 1259 (s), 1181 (m), 1153 (m), 1088 (s), 1072 (s), 1031 (s), 967 (s), 800 (vs), 798 (vs), 749 (vs), 730 (vs), 703 (vs), 577 (s), 511 (s), 418 (s), 397 (s) cm–1.
DOI: 10.14272/mgtqloolbarggw-fotjxgmtsa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C120H78N12/c1-9-29-73(30-10-1)109-85-49-53-89(121-85)111(75-33-13-3-14-34-75)93-57-65-101(125-93)117(102-66-58-94(126-102)112(76-35-15-4-16-36-76)90-54-50-86(109)122-90)81-45-25-27-47-83(81)119-105-69-61-97(129-105)115(79-41-21-7-22-42-79)99-63-71-107(131-99)120(108-72-64-100(132-108)116(80-43-23-8-24-44-80)98-62-70-106(119)130-98)84-48-28-26-46-82(84)118-103-67-59-95(127-103)113(77-37-17-5-18-38-77)91-55-51-87(123-91)110(74-31-11-2-12-32-74)88-52-56-92(124-88)114(78-39-19-6-20-40-78)96-60-68-104(118)128-96/h1-72,121,123,126,128-129,132H/b109-85-,109-86-,110-87-,110-88-,111-89-,111-93-,112-90-,112-94-,113-91-,113-95-,114-92-,114-96-,115-97-,115-99-,116-98-,116-100-,117-101-,117-102-,118-103-,118-104-,119-105-,119-106-,120-107-,120-108-

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (500 MHz, DCM-d2, ppm) δ = 9.10 (d, 3J = 4.8 Hz, 4H, Hpyrrole), 9.06 (d, 3J = 4.8 Hz, 4H, Hpyrrole), 8.56 (d, 3J = 4.8 Hz, 4H, Hpyrrole), 8.48 (dd, J = 6.5, 2.9 Hz, 2H, Hlinker-benzene), 8.48 (dd, J = 6.3, 2.9 Hz, 2H, Hlinker-benzene), 8.27 (d, 3J = 4.8 Hz, 4H, Hpyrrole), 8.12 (d, 3J = 4.8 Hz, 4H, Hpyrrole), 8.07 (d, 3J = 4.7 Hz, 4H, Hpyrrole), 8.06–8.02 (m, 4H, Haromatic), 7.99 (d, 3J = 7.6 Hz, 2H, Haromatic), 7.86 (d, 3J = 7.8 Hz, 2H, Haromatic), 7.75 (t, 3J = 7.4 Hz, 3H, Haromatic), 7.72–7.67 (m, 6H, Haromatic), 7.66–7.60 (m, 5H, Haromatic), 7.56–7.53 (m, 2H, Haromatic), 7.53–7.41 (m, 10H, Haromatic), 7.12 (d, 3J = 7.3 Hz, 2H, Haromatic), 6.73–6.65 (m, 4H, Haromatic), 6.65–6.56 (m, 4H, Haromatic), –3.79 (bs, 4H, NHout), –4.20 (bs, 2H, NHin).Impurities: toluene [ppm]: 7.25–7.15 (m), 2.34 (s), H2O [ppm]: 1.54 (s) H grease [ppm]: 1.34–1.22 (m), H grease [ppm]: 0.92–0.82 (m), silicon grease [ppm]: 0.09 (s) other impurities: 4.36–4.25 (m). We estimate that unassigned H-atom contributions to the NMR spectrum were &lt; 3% overall by hydrogen content.
DOI: 10.14272/mgtqloolbarggw-fotjxgmtsa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C120H78N12/c1-9-29-73(30-10-1)109-85-49-53-89(121-85)111(75-33-13-3-14-34-75)93-57-65-101(125-93)117(102-66-58-94(126-102)112(76-35-15-4-16-36-76)90-54-50-86(109)122-90)81-45-25-27-47-83(81)119-105-69-61-97(129-105)115(79-41-21-7-22-42-79)99-63-71-107(131-99)120(108-72-64-100(132-108)116(80-43-23-8-24-44-80)98-62-70-106(119)130-98)84-48-28-26-46-82(84)118-103-67-59-95(127-103)113(77-37-17-5-18-38-77)91-55-51-87(123-91)110(74-31-11-2-12-32-74)88-52-56-92(124-88)114(78-39-19-6-20-40-78)96-60-68-104(118)128-96/h1-72,121,123,126,128-129,132H/b109-85-,109-86-,110-87-,110-88-,111-89-,111-93-,112-90-,112-94-,113-91-,113-95-,114-92-,114-96-,115-97-,115-99-,116-98-,116-100-,117-101-,117-102-,118-103-,118-104-,119-105-,119-106-,120-107-,120-108-

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (126 MHz, DCM-d2, ppm) δ = 144.9 (Cq), 144.7 (Cq), 142.5 (Cq), 142.1 (Cq), 142.1 (Cq), 136.9 (Cq), 136.5 (Cq), 135.3 (+, CH), 135.0 (+, CH), 134.8 (+, CH), 134.8 (+, CH), 134.4 (+, CH), 134.3 (+, CH), 132.5–128.9 (m, Cq), 128.1 (+, CH), 127.8 (+, CH), 127.6 (+, CH), 127.2 (+, CH), 127.2 (+, CH), 127.2 (+, CH), 126.8 (+, CH), 126.6 (+, CH), 120.3 (Cq), 119.8 (Cq), 119.6 (Cq), 119.2 (Cq), 118.9 (Cq). Missing signals (93C) due to symmetry and signal overlap. Impurities: H grease [ppm]: 30.3, other impurities [ppm]: 32.4, 29.9, 23.2, 14.4 ppm.