cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5281/zenodo.8198646
title: Influence of grain size, organic carbon and organic matter residue content on the sorption of per-and polyfluoroalkyl substances in aqueous film forming foam contaminated soils-Implications for remediation using soil washing

description: Supporting information from Influence of grain size, organic carbon and organic matter residue content on the sorption of per-and polyfluoroalkyl substances in aqueous film forming foam contaminated soils-Implications for remediation using soil washing
DOI: 10.5281/zenodo.2602874
title: PALaC Working Data

description: PALaC's woking data, consisting in the lists, transcriptions and annotated materials we used for the project. Furthermore, we also include all the maps developed for the historical worck package of the project. Please make sure you read the READ ME FIRST file.
DOI: 10.5281/zenodo.2602873
title: PALaC Working Data

description: PALaC's woking data, consisting in the lists, transcriptions and annotated materials we used for the project. Furthermore, we also include all the maps developed for the historical worck package of the project. Please make sure you read the READ ME FIRST file.
DOI: 10.5281/zenodo.8198654
title: Assessing and managing environmental hazards of polymers: historical development, science advances and policy options

description: Supporting information (open data) from Assessing and managing environmental hazards of polymers: historical development, science advances and policy options
DOI: 10.5281/zenodo.8198653
title: Assessing and managing environmental hazards of polymers: historical development, science advances and policy options

description: Supporting information (open data) from Assessing and managing environmental hazards of polymers: historical development, science advances and policy options
DOI: 10.23708/8xpdje
title: Seagrass macroinvertebrate bycatches of the mosquito net trawl fishery in the Bay of Toliara, Madagascar (2018-2019): survey data and code

description: The bay of Toliara (Madagascar) shelters diverse macroinvertebrate communities in seagrass beds. This study aims to improve the knowledge of the diversity, abundance, and socioeconomic role of the seagrass macrobenthos in that area. We studied the mosquito net trawl fishery in seagrass areas in the Bay through the GPS tracking of fishers in 2018-2019. Catches were monitored through monthly landing surveys to characterize spatial temporal patterns in the abundance and diversity of macroinvertebrates in the seagrass beds. Temporal effects (tide (spring/neap), months, and interaction terms) on the mean density and biomass of macroinvertebrate taxa were investigated through a generalized linear model (GLM) using the function « lm » (with a Poisson distribution) of the R software v.3.6.3. We provide here i) the survey data on seagrass macroinvertebrates collected in 2018-2019 in the Bay of Toliara, Madagascar using fishers' mosquito net trawls and ii) the R code used for statistical processing.
DOI: 10.5281/zenodo.8198674
title: Per- and Polyfluoroalkyl Substances in Canadian Fast Food Packaging

description: Supporting information (open data) from Per- and Polyfluoroalkyl Substances in Canadian Fast Food Packaging
DOI: 10.5281/zenodo.8198673
title: Per- and Polyfluoroalkyl Substances in Canadian Fast Food Packaging

description: Supporting information (open data) from Per- and Polyfluoroalkyl Substances in Canadian Fast Food Packaging
DOI: 10.14279/depositonce-18443
title: Springback effect of ambient-pressure-dried silica aerogels: Nanoscopic effects of silylation revealed by in-situ synchro-tron X-ray scattering

description: Data for the publication with the above-mentioned title. The research focused on investigating the volume change (shrinkage and re-expansion) during the drying of silica gels. The re-expansion is known as the springback effect and was the main focus for this work. Here, X-ray scattering data is presented which was captured at the muspot at BESSY. Furthermore, the images that were taken of the samples inside the measurement cell are given. Four different sample types were investigated: FZKH42: A reference sample that was unmodified (UN) and only showed irreversible shrinkage. FZKH51: A hexamethyldisilazane-modified sample (HM) which showed partial re-expansion. FZKH52: A triethylchlorosilane-modified sample (TE) which showed partial re-expansion. FZKJN2: A trimethylchlorosilane-modified sample (TM) that showed the full springback effect. How the samples were synthesized can be read here: https://doi.org/10.3390/gels9020160
DOI: 10.6084/m9.figshare.5309947
title: Critical current characterisation of Shanghai Creative Superconductor Technologies SCST-W12 2G HTS superconducting wire

description: Detailed measurements of the critical current of a commercial 2G HTS REBCO wire as a function of temperature, magnetic field, and field angle, performed at the Robinson Research Institute of Victoria University of Wellington.
DOI: 10.6084/m9.figshare.5309947.v1
title: Critical current characterisation of Shanghai Creative Superconductor Technologies 2G HTS superconducting wire

description: Detailed measurements of the critical current of a 2G HTS REBCO wire as a function of temperature, magnetic field, and field angle, performed at the Robinson Research Institute of Victoria University of Wellington.
DOI: 10.5281/zenodo.7866449
title: Current Harmonics Minimization of PMSM Based on Iterative Learning Control and Neural Networks: Motor Data

description: The provided motor data corresponds to an electrical machine with 24 stator slots and 16 poles. As is common in electrical machines, this motor generates unwanted flux and current harmonics. However, the accompanying paper presents an effective solution to suppress these harmonics through the combined use of Iterative Learning Control (ILC) and Neural Networks (NNs). The ILC method demonstrates proficient compensation for harmonics during operations with constant speed and current reference values. Additionally, Neural Networks are trained with data derived from ILC, proving to be highly effective in suppressing harmonics even during transient operation. The simulation model used in the study is based on flux and torque maps, dependent on dq-currents and the electrical angle. These maps are obtained from Finite Element Method (FEM) simulations of an interior permanent magnet synchronous machine (IPM) and are openly published here, intended to facilitate other researchers in making direct comparisons with their own methodologies. Simulation results presented in the paper confirm that the integration of ILC and NNs leads to superior elimination of current harmonics during transient operations compared to using ILC alone.<br> If you use the provided maps and motor data, kindly cite the associated paper for reference: https://doi.org/10.3390/machines11080784, https://www.mdpi.com/2075-1702/11/8/784
DOI: 10.5281/zenodo.7866448
title: Current Harmonics Minimization of PMSM Based on Iterative Learning Control and Neural Networks: Motor Data

description: The provided motor data corresponds to an electrical machine with 24 stator slots and 16 poles. As is common in electrical machines, this motor generates unwanted flux and current harmonics. However, the accompanying paper presents an effective solution to suppress these harmonics through the combined use of Iterative Learning Control (ILC) and Neural Networks (NNs). The ILC method demonstrates proficient compensation for harmonics during operations with constant speed and current reference values. Additionally, Neural Networks are trained with data derived from ILC, proving to be highly effective in suppressing harmonics even during transient operation. The simulation model used in the study is based on flux and torque maps, dependent on dq-currents and the electrical angle. These maps are obtained from Finite Element Method (FEM) simulations of an interior permanent magnet synchronous machine (IPM) and are openly published here, intended to facilitate other researchers in making direct comparisons with their own methodologies. Simulation results presented in the paper confirm that the integration of ILC and NNs leads to superior elimination of current harmonics during transient operations compared to using ILC alone.<br> If you use the provided maps and motor data, kindly cite the associated paper for reference: https://doi.org/10.3390/machines11080784, https://www.mdpi.com/2075-1702/11/8/784
DOI: 10.5281/zenodo.7688265
title: Data and code for: "An open-source GIS approach to understanding dunefield morphologic variability at Kati Thanda (Lake Eyre), central Australia"

description: Data and reproducabel code
DOI: 10.5281/zenodo.7688264
title: Data and code for: "An open-source GIS approach to understanding dunefield morphologic variability at Kati Thanda (Lake Eyre), central Australia"

description: Data and reproducabel code
DOI: 10.14272/dsfnwsgqkvtrip-wtfxtoscsa-n/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C36H22N4/c1-3-23-5-9-25(10-6-23)35-31-17-13-27(37-31)21-29-15-19-33(39-29)36(26-11-7-24(4-2)8-12-26)34-20-16-30(40-34)22-28-14-18-32(35)38-28/h1-2,5-22,37,40H/b27-21-,28-22-,29-21-,30-22-,35-31-,35-32-,36-33-,36-34-

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 3289, 3225, 1575, 1533, 1486, 1468, 1395, 1360, 1322, 1275, 1261, 1237, 1194, 1174, 1149, 1105, 1072, 1055, 1016, 989, 973, 952, 909, 851, 788, 773, 745, 714, 688, 679, 654, 616, 565, 540, 509, 455 cm–1.
DOI: 10.14272/dsfnwsgqkvtrip-wtfxtoscsa-n.1
title: 5,15-bis(4-ethynylphenyl)porphyrin
title: InChI=1S/C36H22N4/c1-3-23-5-9-25(10-6-23)35-31-17-13-27(37-31)21-29-15-19-33(39-29)36(26-11-7-24(4-2)8-12-26)34-20-16-30(40-34)22-28-14-18-32(35)38-28/h1-2,5-22,37,40H/b27-21-,28-22-,29-21-,30-22-,35-31-,35-32-,36-33-,36-34-

description: This is a physical chemical entity[CHEBI_24431] associated with a molecule[CHEBI_25367]. The molecule[CHEBI_25367] can be described by the following structural desciptors[cheminf_000085]: InChI descriptor[cheminf_000113]: InChI=1S/C36H22N4/c1-3-23-5-9-25(10-6-23)35-31-17-13-27(37-31)21-29-15-19-33(39-29)36(26-11-7-24(4-2)8-12-26)34-20-16-30(40-34)22-28-14-18-32(35)38-28/h1-2,5-22,37,40H/b27-21-,28-22-,29-21-,30-22-,35-31-,35-32-,36-33-,36-34-, and canonical SMILES descriptor[cheminf_000007]: C#Cc1ccc(cc1)/C/1=C/2\C=CC(=N2)/C=c\2/cc/c(=C(/C3=N/C(=C\c4[nH]c1cc4)/C=C3)\c1ccc(cc1)C#C)/[nH]2, and by the IUPAC name[cheminf_000107]: . The physical chemical entity[CHEBI_24431] has a component solvent[CHEBI_46787] which is described by the canonical SMILES descriptor[cheminf_000007]: The physical chemical entity[CHEBI_24431] has the following Sample ID as registered in the research data repository chemotion (www.chemotion-repository.net, https://doi.org/10.25504/FAIRsharing.iagXcR): CRS-31098 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]: Melting point descriptor[CHEMINF_000256]: Boiling point descriptor[CHEMINF_000257]: Refractive index descriptor[CHEMINF_000253]: The physical chemical entity[CHEBI_24431] can be further described by the following assays[OBI:0000070][CHMO:0001133]: CHMO:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR) CHMO:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR) CHMO:0001146 | 1H--13C heteronuclear single quantum coherence (1H-13C HSQC) CHMO:0000630 | infrared absorption spectroscopy (IR) CHMO:0000470 | mass spectrometry (MS) CHMO:0000292 | ultraviolet-visible spectrophotometry (UV-VIS) The physical chemical entity[CHEBI_24431] was deposited to the Molecule Archive of the Karlsruhe Insitute of Technology (KIT) with the following Sample ID: Used ontologies: CHEBI - Chemical Entities of Biological Interest CHEMINF - chemical information ontology (information entities about chemical entities) CHMO - Chemical Methods Ontology OBI - Ontology for Biomedical Investigations
DOI: 10.14272/dsfnwsgqkvtrip-wtfxtoscsa-n/chmo0001146
title: 1H--13C heteronuclear single quantum coherence (1H-13C HSQC) ()
title: InChI=1S/C36H22N4/c1-3-23-5-9-25(10-6-23)35-31-17-13-27(37-31)21-29-15-19-33(39-29)36(26-11-7-24(4-2)8-12-26)34-20-16-30(40-34)22-28-14-18-32(35)38-28/h1-2,5-22,37,40H/b27-21-,28-22-,29-21-,30-22-,35-31-,35-32-,36-33-,36-34-

description: dataset for 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
DOI: 10.14272/dsfnwsgqkvtrip-wtfxtoscsa-n/chmo0000470
title: mass spectrometry (MS) ()
title: InChI=1S/C36H22N4/c1-3-23-5-9-25(10-6-23)35-31-17-13-27(37-31)21-29-15-19-33(39-29)36(26-11-7-24(4-2)8-12-26)34-20-16-30(40-34)22-28-14-18-32(35)38-28/h1-2,5-22,37,40H/b27-21-,28-22-,29-21-,30-22-,35-31-,35-32-,36-33-,36-34-

description: dataset for mass spectrometry (MS) MS (FAB, 3-NBA), m/z (%): 460 (6) [M – 2 C2H]+, 308 (9), 307 (37), 289 (13), 156 (7), 155 (31), 154 (100), 153 (7), 152 (7), 139 (15), 138 (36), 137 (71), 136 (60), 135 (9), 124 (9), 121 (6), 120 (10), 107 (17), 91 (9), 90 (9), 89 (14). HRMS–FAB (m/z): [C36H23N4+H]+ calcd for 511.1917; found 511.1916.
DOI: 10.14272/dsfnwsgqkvtrip-wtfxtoscsa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C36H22N4/c1-3-23-5-9-25(10-6-23)35-31-17-13-27(37-31)21-29-15-19-33(39-29)36(26-11-7-24(4-2)8-12-26)34-20-16-30(40-34)22-28-14-18-32(35)38-28/h1-2,5-22,37,40H/b27-21-,28-22-,29-21-,30-22-,35-31-,35-32-,36-33-,36-34-

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, Chloroform-d [7.27 ppm] + TFA, ppm) δ = 10.94 (s, 2H), 9.55 (d, J = 4.8 Hz, 4H), 9.05 (d, J = 4.8 Hz, 4H), 8.50–8.45 (m, 4H), 8.18–8,14 (m, 4H), 3.49 (s, 2H), -1.94 (s, 2H). Impurities: 9.54 (TFA), 5.31 (DCM), 1.27 (grease), 0.09 (grease).
DOI: 10.14272/dsfnwsgqkvtrip-wtfxtoscsa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C36H22N4/c1-3-23-5-9-25(10-6-23)35-31-17-13-27(37-31)21-29-15-19-33(39-29)36(26-11-7-24(4-2)8-12-26)34-20-16-30(40-34)22-28-14-18-32(35)38-28/h1-2,5-22,37,40H/b27-21-,28-22-,29-21-,30-22-,35-31-,35-32-,36-33-,36-34-

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (100 MHz, Chloroform-d [77.0 ppm] + TFA, ppm) δ = 145.9 (Cq), 143.0 (Cq), 138.7 (Cq), 137.7 (+, 4C), 132.2 (+, 4C), 130.0 (+, 4C), 129.8 (+, 4C), 124.7 (Cq), 121.5 (Cq), 106.8 (+, 4C), 82.7 (Cq), 80.8 (+, 2C). Missing signals: due to peak broadening and signal overlap, signals (8C) are missing. Impurities: 158.2 (TFA), 157.8 (TFA), 118.1 (TFA), 115.2 (TFA), 112.4 (TFA), 109.5 (TFA).
DOI: 10.14272/dsfnwsgqkvtrip-wtfxtoscsa-n/chmo0000292
title: ultraviolet-visible spectrophotometry (UV-VIS) ()
title: InChI=1S/C36H22N4/c1-3-23-5-9-25(10-6-23)35-31-17-13-27(37-31)21-29-15-19-33(39-29)36(26-11-7-24(4-2)8-12-26)34-20-16-30(40-34)22-28-14-18-32(35)38-28/h1-2,5-22,37,40H/b27-21-,28-22-,29-21-,30-22-,35-31-,35-32-,36-33-,36-34-

description: dataset for ultraviolet-visible spectrophotometry (UV-VIS) UV-VIS (absorption, CH2Cl2, 16 µM, 20 °C), λmax(log ε in M-1cm-1) = 411 (5.609), 506 (4.241), 541 (3.879), 579 (3.737), 634 (3.347) nm.
DOI: 10.14272/xmyrljrpwyrzof-rsvdosdisa-n.1
title: 5,15-bis(4-ethynylphenyl)-10,20-bis(3,4,5-trimethoxyphenyl)porphyrin
title: InChI=1S/C54H42N4O6/c1-9-31-11-15-33(16-12-31)49-37-19-23-41(55-37)51(35-27-45(59-3)53(63-7)46(28-35)60-4)43-25-21-39(57-43)50(34-17-13-32(10-2)14-18-34)40-22-26-44(58-40)52(42-24-20-38(49)56-42)36-29-47(61-5)54(64-8)48(30-36)62-6/h1-2,11-30,55,58H,3-8H3/b49-37-,49-38-,50-39-,50-40-,51-41-,51-43-,52-42-,52-44-

description: This is a physical chemical entity[CHEBI_24431] associated with a molecule[CHEBI_25367]. The molecule[CHEBI_25367] can be described by the following structural desciptors[cheminf_000085]: InChI descriptor[cheminf_000113]: InChI=1S/C54H42N4O6/c1-9-31-11-15-33(16-12-31)49-37-19-23-41(55-37)51(35-27-45(59-3)53(63-7)46(28-35)60-4)43-25-21-39(57-43)50(34-17-13-32(10-2)14-18-34)40-22-26-44(58-40)52(42-24-20-38(49)56-42)36-29-47(61-5)54(64-8)48(30-36)62-6/h1-2,11-30,55,58H,3-8H3/b49-37-,49-38-,50-39-,50-40-,51-41-,51-43-,52-42-,52-44-, and canonical SMILES descriptor[cheminf_000007]: C#Cc1ccc(cc1)/C/1=C/2\C=CC(=N2)/C(=c\2/cc/c(=C(/C3=N/C(=C(\c4[nH]c1cc4)/c1cc(OC)c(c(c1)OC)OC)/C=C3)\c1ccc(cc1)C#C)/[nH]2)/c1cc(OC)c(c(c1)OC)OC, and by the IUPAC name[cheminf_000107]: . The physical chemical entity[CHEBI_24431] has a component solvent[CHEBI_46787] which is described by the canonical SMILES descriptor[cheminf_000007]: The physical chemical entity[CHEBI_24431] has the following Sample ID as registered in the research data repository chemotion (www.chemotion-repository.net, https://doi.org/10.25504/FAIRsharing.iagXcR): CRS-31114 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]: Melting point descriptor[CHEMINF_000256]: Boiling point descriptor[CHEMINF_000257]: Refractive index descriptor[CHEMINF_000253]: The physical chemical entity[CHEBI_24431] can be further described by the following assays[OBI:0000070][CHMO:0001133]: CHMO:0000630 | infrared absorption spectroscopy (IR) CHMO:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR) CHMO:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR) CHMO:0001146 | 1H--13C heteronuclear single quantum coherence (1H-13C HSQC) CHMO:0000470 | mass spectrometry (MS) CHMO:0000292 | ultraviolet-visible spectrophotometry (UV-VIS) The physical chemical entity[CHEBI_24431] was deposited to the Molecule Archive of the Karlsruhe Insitute of Technology (KIT) with the following Sample ID: Used ontologies: CHEBI - Chemical Entities of Biological Interest CHEMINF - chemical information ontology (information entities about chemical entities) CHMO - Chemical Methods Ontology OBI - Ontology for Biomedical Investigations
DOI: 10.14272/xmyrljrpwyrzof-rsvdosdisa-n/chmo0000470
title: mass spectrometry (MS) ()
title: InChI=1S/C54H42N4O6/c1-9-31-11-15-33(16-12-31)49-37-19-23-41(55-37)51(35-27-45(59-3)53(63-7)46(28-35)60-4)43-25-21-39(57-43)50(34-17-13-32(10-2)14-18-34)40-22-26-44(58-40)52(42-24-20-38(49)56-42)36-29-47(61-5)54(64-8)48(30-36)62-6/h1-2,11-30,55,58H,3-8H3/b49-37-,49-38-,50-39-,50-40-,51-41-,51-43-,52-42-,52-44-

description: dataset for mass spectrometry (MS) MS (FAB, 3-NBA), m/z (%): 843 (9) [M + H]+, 842 (7) [M]+, 663 (13), 307 (30), 289 (15), 195 (10), 156 (7), 155 (30), 154 (100), 152 (10), 139 (17), 138 (34), 137 (62), 136 (73), 120 (12), 107 (23), 95 (11), 91 (19), 90 (15), 89 (20).HRMS–FAB (m/z): [C54H42O6N4 + H]+ calcd for 843.3177; found 843.3178.
DOI: 10.14272/xmyrljrpwyrzof-rsvdosdisa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C54H42N4O6/c1-9-31-11-15-33(16-12-31)49-37-19-23-41(55-37)51(35-27-45(59-3)53(63-7)46(28-35)60-4)43-25-21-39(57-43)50(34-17-13-32(10-2)14-18-34)40-22-26-44(58-40)52(42-24-20-38(49)56-42)36-29-47(61-5)54(64-8)48(30-36)62-6/h1-2,11-30,55,58H,3-8H3/b49-37-,49-38-,50-39-,50-40-,51-41-,51-43-,52-42-,52-44-

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, Chloroform-d [7.27 ppm], ppm) δ = 8.98 (d, J = 4.8 Hz, 4H), 8.85 (d, J = 4.8 Hz, 4H), 8.21–8.19 (m, 4H), 7.93–7.91 (m, 4H), 7.48 (s, 4H), 4.20 (s, 6H), 3.98 (s, 12H), 3.35 (s, 2H), -2.80 (s, 2H). Impurities: 1.56 (water), 0.09 (grease).
DOI: 10.14272/xmyrljrpwyrzof-rsvdosdisa-n/chmo0000292
title: ultraviolet-visible spectrophotometry (UV-VIS) ()
title: InChI=1S/C54H42N4O6/c1-9-31-11-15-33(16-12-31)49-37-19-23-41(55-37)51(35-27-45(59-3)53(63-7)46(28-35)60-4)43-25-21-39(57-43)50(34-17-13-32(10-2)14-18-34)40-22-26-44(58-40)52(42-24-20-38(49)56-42)36-29-47(61-5)54(64-8)48(30-36)62-6/h1-2,11-30,55,58H,3-8H3/b49-37-,49-38-,50-39-,50-40-,51-41-,51-43-,52-42-,52-44-

description: dataset for ultraviolet-visible spectrophotometry (UV-VIS) UV-VIS (absorption, CH2Cl2, 17 µM, 20 °C), λmax(log ε in M-1cm-1) = 424 (5.658), 519 (4.277), 554 (3.925), 593 (3.737), 649 (3.579) nm.
DOI: 10.14272/xmyrljrpwyrzof-rsvdosdisa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C54H42N4O6/c1-9-31-11-15-33(16-12-31)49-37-19-23-41(55-37)51(35-27-45(59-3)53(63-7)46(28-35)60-4)43-25-21-39(57-43)50(34-17-13-32(10-2)14-18-34)40-22-26-44(58-40)52(42-24-20-38(49)56-42)36-29-47(61-5)54(64-8)48(30-36)62-6/h1-2,11-30,55,58H,3-8H3/b49-37-,49-38-,50-39-,50-40-,51-41-,51-43-,52-42-,52-44-

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (100 MHz, Chloroform-d [77.0 ppm], ppm) δ = 151.4, 142.6, 137.9, 137.4, 134.4 (+, 4C), 130.6 (+, 4C), 121.7, 120.2, 119.3, 112.8 (+, 4C), 83.6, 61.3 (+, 2C), 56.4 (+, 4C). Missing signals: due to peak broadening and signal overlap, signals (28C) are missing.
DOI: 10.14272/xmyrljrpwyrzof-rsvdosdisa-n/chmo0001146
title: 1H--13C heteronuclear single quantum coherence (1H-13C HSQC) ()
title: InChI=1S/C54H42N4O6/c1-9-31-11-15-33(16-12-31)49-37-19-23-41(55-37)51(35-27-45(59-3)53(63-7)46(28-35)60-4)43-25-21-39(57-43)50(34-17-13-32(10-2)14-18-34)40-22-26-44(58-40)52(42-24-20-38(49)56-42)36-29-47(61-5)54(64-8)48(30-36)62-6/h1-2,11-30,55,58H,3-8H3/b49-37-,49-38-,50-39-,50-40-,51-41-,51-43-,52-42-,52-44-

description: dataset for 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
DOI: 10.14272/xmyrljrpwyrzof-rsvdosdisa-n/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C54H42N4O6/c1-9-31-11-15-33(16-12-31)49-37-19-23-41(55-37)51(35-27-45(59-3)53(63-7)46(28-35)60-4)43-25-21-39(57-43)50(34-17-13-32(10-2)14-18-34)40-22-26-44(58-40)52(42-24-20-38(49)56-42)36-29-47(61-5)54(64-8)48(30-36)62-6/h1-2,11-30,55,58H,3-8H3/b49-37-,49-38-,50-39-,50-40-,51-41-,51-43-,52-42-,52-44-

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 3276, 2965, 2934, 2827, 1579, 1558, 1504, 1473, 1459, 1452, 1405, 1356, 1324, 1232, 1201, 1180, 1150, 1125, 1078, 1060, 1023, 1007, 983, 973, 926, 904, 856, 847, 793, 761, 722, 659, 645, 625, 561, 550, 526, 510, 467 cm–1.