cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.6084/m9.figshare.29998213.v1
title: POÉTICA DE LA INTIMIDAD Y CRÍTICA SOCIAL EN JAVIER PÉREZ

description: POÉTICA DE LA INTIMIDAD Y CRÍTICA SOCIAL EN JAVIER PÉREZ-AYALA: UNA LECTURA DE LA INDIFERENCIA CONTEMPORÁNEA DESDE LA TRADICIÓN POÉTICA ESPAÑOLATesis DoctoralUniversidad Complutense de Madrid Facultad de Filología Departamento de Literatura EspañolaDoctorando: Angela Isabel de Claudia SoneiraDirector: Andrés Ignacio García Pérez-TomásÍNDICE1. INTRODUCCIÓN2. MARCO TEÓRICO Y METODOLÓGICO3. CONTEXTO HISTÓRICO-LITERARIO4. ANÁLISIS TEMÁTICO 4.1. La poética de la intimidad 4.2. La crítica social y el concepto de indiferencia 4.3. La metapoesía como reflexión sobre el oficio poético5. INFLUENCIAS LITERARIAS 5.1. La huella de Joan Margarit 5.2. El magisterio de Ángel González 5.3. La presencia de Rilke 5.4. El dolor existencial de Dámaso Alonso6. ESTILO Y RECURSOS EXPRESIVOS7. CONCLUSIONES8. BIBLIOGRAFÍA
DOI: 10.15468/dl.wktmcc
title: Occurrence Download

description: A dataset containing 0 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Gampsorhynchus torquatus",
 "Country is Chinese Taipei",
 "HasCoordinate is true"
 ]
}

 The dataset includes 0 records from 0 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0001187-250827131500795/datasets/export for details.
DOI: 10.15468/dl.amz8fe
title: Occurrence Download

description: A dataset containing 1394 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Sceloporus cozumelae"
 ]
}

 The dataset includes 1394 records from 31 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0001188-250827131500795/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.5281/zenodo.16970132
title: Dataset for journal paper called "Dry Machining of Inconel 713LC: Surface Integrity and Force Response to Cutting Conditions"

description: Data for the journal paper Dry Machining of Inconel 713LC: Surface Integrity and Force Response to Cutting Conditions to be published in Materials.
DOI: 10.5281/zenodo.16970133
title: Dataset for journal paper called "Dry Machining of Inconel 713LC: Surface Integrity and Force Response to Cutting Conditions"

description: Data for the journal paper Dry Machining of Inconel 713LC: Surface Integrity and Force Response to Cutting Conditions to be published in Materials.
DOI: 10.15468/dl.euc8mq
title: Occurrence Download

description: A dataset listing the 257874 species recorded in GBIF matching the query:
{
 "Country" : [
 "is Mexico"
 ]
}

 The dataset's 257874 records were derived from 3979 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0001163-250827131500795/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.mspejm
title: Occurrence Download

description: A dataset containing 3828283 species occurrences available in GBIF matching the query:
{
 "Geometry" : [
 "POLYGON((-7.61752 42.95466,-7.65936 43.08021,-7.70121 42.42735,-7.30782 42.11766,-6.51267 42.04233,-5.45805 42.04233,-4.2695 41.90004,-2.72942 41.85819,-2.16863 42.1344,-2.12678 42.47757,-2.32766 42.78726,-2.61224 42.93792,-3.014 42.90444,-3.59154 42.94629,-4.4955 42.96303,-5.51664 43.07184,-6.91443 43.20576,-7.61752 42.95466))"
 ]
}

 The dataset includes 3828283 records from 529 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0022641-250525065834625/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.14272/bhwxsuybqotele-uhfffaoysa-n/chmo0000630.1
title: infrared absorption spectroscopy (IR) (4-[5-[11-[5-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]thiophen-2-yl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]thiophen-2-yl]-N,N-bis(4-methoxyphenyl)aniline)
title: InChI=1S/C64H54N2O4S2/c1-67-55-29-21-51(22-30-55)65(52-23-31-56(68-2)32-24-52)49-17-13-47(14-18-49)61-37-39-63(71-61)59-41-43-5-9-45(59)11-7-44-6-10-46(12-8-43)60(42-44)64-40-38-62(72-64)48-15-19-50(20-16-48)66(53-25-33-57(69-3)34-26-53)54-27-35-58(70-4)36-28-54/h5-6,9-10,13-42H,7-8,11-12H2,1-4H3

description: dataset for infrared absorption spectroscopy (IR)
DOI: 10.14272/bhwxsuybqotele-uhfffaoysa-n/chmo0001146.1
title: 1H--13C heteronuclear single quantum coherence (1H-13C HSQC) (4-[5-[11-[5-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]thiophen-2-yl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]thiophen-2-yl]-N,N-bis(4-methoxyphenyl)aniline)
title: InChI=1S/C64H54N2O4S2/c1-67-55-29-21-51(22-30-55)65(52-23-31-56(68-2)32-24-52)49-17-13-47(14-18-49)61-37-39-63(71-61)59-41-43-5-9-45(59)11-7-44-6-10-46(12-8-43)60(42-44)64-40-38-62(72-64)48-15-19-50(20-16-48)66(53-25-33-57(69-3)34-26-53)54-27-35-58(70-4)36-28-54/h5-6,9-10,13-42H,7-8,11-12H2,1-4H3

description: dataset for 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
DOI: 10.14272/bhwxsuybqotele-uhfffaoysa-n/chmo0001150
title: 1H--1H correlation spectroscopy (1H-1H COSY) (4-[5-[11-[5-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]thiophen-2-yl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]thiophen-2-yl]-N,N-bis(4-methoxyphenyl)aniline)
title: InChI=1S/C64H54N2O4S2/c1-67-55-29-21-51(22-30-55)65(52-23-31-56(68-2)32-24-52)49-17-13-47(14-18-49)61-37-39-63(71-61)59-41-43-5-9-45(59)11-7-44-6-10-46(12-8-43)60(42-44)64-40-38-62(72-64)48-15-19-50(20-16-48)66(53-25-33-57(69-3)34-26-53)54-27-35-58(70-4)36-28-54/h5-6,9-10,13-42H,7-8,11-12H2,1-4H3

description: dataset for 1H--1H correlation spectroscopy (1H-1H COSY)
DOI: 10.5281/zenodo.15602742
title: Submitted Galaxy Scores to the Gravitational Wave Treasure Map for event MS250605p Preliminary

description: Attached in a .json file is the ranked galaxy information within the contour region of the EM counterpart search associated with the gravitational wave event MS250605p Preliminary. A reference to these calculations can be found here: https://ui.adsabs.harvard.edu/abs/2017ApJ...848L..33A/abstract
DOI: 10.5281/zenodo.15602743
title: Submitted Galaxy Scores to the Gravitational Wave Treasure Map for event MS250605p Preliminary

description: Attached in a .json file is the ranked galaxy information within the contour region of the EM counterpart search associated with the gravitational wave event MS250605p Preliminary. A reference to these calculations can be found here: https://ui.adsabs.harvard.edu/abs/2017ApJ...848L..33A/abstract
DOI: 10.14272/bhwxsuybqotele-uhfffaoysa-n.2
title: C64H54N2O4S2
title: InChI=1S/C64H54N2O4S2/c1-67-55-29-21-51(22-30-55)65(52-23-31-56(68-2)32-24-52)49-17-13-47(14-18-49)61-37-39-63(71-61)59-41-43-5-9-45(59)11-7-44-6-10-46(12-8-43)60(42-44)64-40-38-62(72-64)48-15-19-50(20-16-48)66(53-25-33-57(69-3)34-26-53)54-27-35-58(70-4)36-28-54/h5-6,9-10,13-42H,7-8,11-12H2,1-4H3

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/C64H54N2O4S2/c1-67-55-29-21-51(22-30-55)65(52-23-31-56(68-2)32-24-52)49-17-13-47(14-18-49)61-37-39-63(71-61)59-41-43-5-9-45(59)11-7-44-6-10-46(12-8-43)60(42-44)64-40-38-62(72-64)48-15-19-50(20-16-48)66(53-25-33-57(69-3)34-26-53)54-27-35-58(70-4)36-28-54/h5-6,9-10,13-42H,7-8,11-12H2,1-4H3, and canonical SMILES descriptor[cheminf_000007]: COc1ccc(cc1)N(c1ccc(cc1)OC)c1ccc(cc1)c1ccc(s1)c1cc2CCc3ccc(CCc1cc2)cc3c1ccc(s1)c1ccc(cc1)N(c1ccc(cc1)OC)c1ccc(cc1)OC, and by the IUPAC name[cheminf_000107]: 4-[5-[11-[5-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]thiophen-2-yl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]thiophen-2-yl]-N,N-bis(4-methoxyphenyl)aniline.
 
 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-48041

 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
 Melting point descriptor[CHEMINF_000256]: 79.0 (°C)
 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:0000736 | electrospray ionisation time-of-flight mass spectrometry (ESI TOF MS)
 
 CHMO:0001150 | 1H--1H correlation spectroscopy (1H-1H COSY)
 
 CHMO:0001146 | 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
 
 CHMO:0000630 | infrared absorption spectroscopy (IR)
 
 CHMO:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR)
 
 CHMO:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR)
 
 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/bhwxsuybqotele-uhfffaoysa-n/chmo0000593.1
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (4-[5-[11-[5-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]thiophen-2-yl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]thiophen-2-yl]-N,N-bis(4-methoxyphenyl)aniline)
title: InChI=1S/C64H54N2O4S2/c1-67-55-29-21-51(22-30-55)65(52-23-31-56(68-2)32-24-52)49-17-13-47(14-18-49)61-37-39-63(71-61)59-41-43-5-9-45(59)11-7-44-6-10-46(12-8-43)60(42-44)64-40-38-62(72-64)48-15-19-50(20-16-48)66(53-25-33-57(69-3)34-26-53)54-27-35-58(70-4)36-28-54/h5-6,9-10,13-42H,7-8,11-12H2,1-4H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/bhwxsuybqotele-uhfffaoysa-n/chmo0000595.1
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (4-[5-[11-[5-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]thiophen-2-yl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]thiophen-2-yl]-N,N-bis(4-methoxyphenyl)aniline)
title: InChI=1S/C64H54N2O4S2/c1-67-55-29-21-51(22-30-55)65(52-23-31-56(68-2)32-24-52)49-17-13-47(14-18-49)61-37-39-63(71-61)59-41-43-5-9-45(59)11-7-44-6-10-46(12-8-43)60(42-44)64-40-38-62(72-64)48-15-19-50(20-16-48)66(53-25-33-57(69-3)34-26-53)54-27-35-58(70-4)36-28-54/h5-6,9-10,13-42H,7-8,11-12H2,1-4H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/bhwxsuybqotele-uhfffaoysa-n/chmo0000736
title: electrospray ionisation time-of-flight mass spectrometry (ESI TOF MS) (4-[5-[11-[5-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]thiophen-2-yl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]thiophen-2-yl]-N,N-bis(4-methoxyphenyl)aniline)
title: InChI=1S/C64H54N2O4S2/c1-67-55-29-21-51(22-30-55)65(52-23-31-56(68-2)32-24-52)49-17-13-47(14-18-49)61-37-39-63(71-61)59-41-43-5-9-45(59)11-7-44-6-10-46(12-8-43)60(42-44)64-40-38-62(72-64)48-15-19-50(20-16-48)66(53-25-33-57(69-3)34-26-53)54-27-35-58(70-4)36-28-54/h5-6,9-10,13-42H,7-8,11-12H2,1-4H3

description: dataset for electrospray ionisation time-of-flight mass spectrometry (ESI TOF MS)
DOI: 10.15468/dl.u2cvf5
title: Occurrence Download

description: A dataset containing 443 species occurrences available in GBIF matching the query:
{
 "and" : [
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "OccurrenceStatus is Present",
 "TaxonKey is Potentilla egedii Wormsk."
 ]
}

 The dataset includes 443 records from 29 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0022762-250525065834625/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.14272/qjugoxczrnwvmy-uhfffaoysa-n/chmo0000596
title: distortionless enhancement with polarization transfer (DEPT) ()
title: InChI=1S/C64H54N2O4S2/c1-67-55-29-21-51(22-30-55)65(52-23-31-56(68-2)32-24-52)49-17-13-47(14-18-49)61-37-39-63(71-61)59-41-43-5-6-44-8-10-46(12-11-45(59)9-7-43)60(42-44)64-40-38-62(72-64)48-15-19-50(20-16-48)66(53-25-33-57(69-3)34-26-53)54-27-35-58(70-4)36-28-54/h7-10,13-42H,5-6,11-12H2,1-4H3

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/qjugoxczrnwvmy-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C64H54N2O4S2/c1-67-55-29-21-51(22-30-55)65(52-23-31-56(68-2)32-24-52)49-17-13-47(14-18-49)61-37-39-63(71-61)59-41-43-5-6-44-8-10-46(12-11-45(59)9-7-43)60(42-44)64-40-38-62(72-64)48-15-19-50(20-16-48)66(53-25-33-57(69-3)34-26-53)54-27-35-58(70-4)36-28-54/h7-10,13-42H,5-6,11-12H2,1-4H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/qjugoxczrnwvmy-uhfffaoysa-n/chmo0001150
title: 1H--1H correlation spectroscopy (1H-1H COSY) ()
title: InChI=1S/C64H54N2O4S2/c1-67-55-29-21-51(22-30-55)65(52-23-31-56(68-2)32-24-52)49-17-13-47(14-18-49)61-37-39-63(71-61)59-41-43-5-6-44-8-10-46(12-11-45(59)9-7-43)60(42-44)64-40-38-62(72-64)48-15-19-50(20-16-48)66(53-25-33-57(69-3)34-26-53)54-27-35-58(70-4)36-28-54/h7-10,13-42H,5-6,11-12H2,1-4H3

description: dataset for 1H--1H correlation spectroscopy (1H-1H COSY)
DOI: 10.14272/qjugoxczrnwvmy-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C64H54N2O4S2/c1-67-55-29-21-51(22-30-55)65(52-23-31-56(68-2)32-24-52)49-17-13-47(14-18-49)61-37-39-63(71-61)59-41-43-5-6-44-8-10-46(12-11-45(59)9-7-43)60(42-44)64-40-38-62(72-64)48-15-19-50(20-16-48)66(53-25-33-57(69-3)34-26-53)54-27-35-58(70-4)36-28-54/h7-10,13-42H,5-6,11-12H2,1-4H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/qjugoxczrnwvmy-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C64H54N2O4S2/c1-67-55-29-21-51(22-30-55)65(52-23-31-56(68-2)32-24-52)49-17-13-47(14-18-49)61-37-39-63(71-61)59-41-43-5-6-44-8-10-46(12-11-45(59)9-7-43)60(42-44)64-40-38-62(72-64)48-15-19-50(20-16-48)66(53-25-33-57(69-3)34-26-53)54-27-35-58(70-4)36-28-54/h7-10,13-42H,5-6,11-12H2,1-4H3

description: dataset for infrared absorption spectroscopy (IR)
DOI: 10.14272/qjugoxczrnwvmy-uhfffaoysa-n/chmo0001146
title: 1H--13C heteronuclear single quantum coherence (1H-13C HSQC) ()
title: InChI=1S/C64H54N2O4S2/c1-67-55-29-21-51(22-30-55)65(52-23-31-56(68-2)32-24-52)49-17-13-47(14-18-49)61-37-39-63(71-61)59-41-43-5-6-44-8-10-46(12-11-45(59)9-7-43)60(42-44)64-40-38-62(72-64)48-15-19-50(20-16-48)66(53-25-33-57(69-3)34-26-53)54-27-35-58(70-4)36-28-54/h7-10,13-42H,5-6,11-12H2,1-4H3

description: dataset for 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
DOI: 10.14272/qjugoxczrnwvmy-uhfffaoysa-n.1
title: C64H54N2O4S2
title: InChI=1S/C64H54N2O4S2/c1-67-55-29-21-51(22-30-55)65(52-23-31-56(68-2)32-24-52)49-17-13-47(14-18-49)61-37-39-63(71-61)59-41-43-5-6-44-8-10-46(12-11-45(59)9-7-43)60(42-44)64-40-38-62(72-64)48-15-19-50(20-16-48)66(53-25-33-57(69-3)34-26-53)54-27-35-58(70-4)36-28-54/h7-10,13-42H,5-6,11-12H2,1-4H3

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/C64H54N2O4S2/c1-67-55-29-21-51(22-30-55)65(52-23-31-56(68-2)32-24-52)49-17-13-47(14-18-49)61-37-39-63(71-61)59-41-43-5-6-44-8-10-46(12-11-45(59)9-7-43)60(42-44)64-40-38-62(72-64)48-15-19-50(20-16-48)66(53-25-33-57(69-3)34-26-53)54-27-35-58(70-4)36-28-54/h7-10,13-42H,5-6,11-12H2,1-4H3, and canonical SMILES descriptor[cheminf_000007]: COc1ccc(cc1)N(c1ccc(cc1)OC)c1ccc(cc1)c1ccc(s1)c1cc2ccc1CCc1ccc(CC2)cc1c1ccc(s1)c1ccc(cc1)N(c1ccc(cc1)OC)c1ccc(cc1)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-48033

 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
 Melting point descriptor[CHEMINF_000256]: 157.0 (°C)
 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:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR)
 
 CHMO:0000596 | distortionless enhancement with polarization transfer (DEPT)
 
 CHMO:0001150 | 1H--1H correlation spectroscopy (1H-1H COSY)
 
 CHMO:0001146 | 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
 
 CHMO:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR)
 
 CHMO:0000630 | infrared absorption spectroscopy (IR)
 
 CHMO:0000736 | electrospray ionisation time-of-flight mass spectrometry (ESI TOF MS)
 
 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/qjugoxczrnwvmy-uhfffaoysa-n/chmo0000736
title: electrospray ionisation time-of-flight mass spectrometry (ESI TOF MS) ()
title: InChI=1S/C64H54N2O4S2/c1-67-55-29-21-51(22-30-55)65(52-23-31-56(68-2)32-24-52)49-17-13-47(14-18-49)61-37-39-63(71-61)59-41-43-5-6-44-8-10-46(12-11-45(59)9-7-43)60(42-44)64-40-38-62(72-64)48-15-19-50(20-16-48)66(53-25-33-57(69-3)34-26-53)54-27-35-58(70-4)36-28-54/h7-10,13-42H,5-6,11-12H2,1-4H3

description: dataset for electrospray ionisation time-of-flight mass spectrometry (ESI TOF MS)
DOI: 10.14272/neaojnolovrndm-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C68H54N2O4S4/c1-71-55-29-21-51(22-30-55)69(52-23-31-56(72-2)32-24-52)49-17-13-47(14-18-49)61-39-65-67(75-61)41-63(77-65)59-37-43-5-9-45(59)11-7-44-6-10-46(12-8-43)60(38-44)64-42-68-66(78-64)40-62(76-68)48-15-19-50(20-16-48)70(53-25-33-57(73-3)34-26-53)54-27-35-58(74-4)36-28-54/h5-6,9-10,13-42H,7-8,11-12H2,1-4H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/neaojnolovrndm-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C68H54N2O4S4/c1-71-55-29-21-51(22-30-55)69(52-23-31-56(72-2)32-24-52)49-17-13-47(14-18-49)61-39-65-67(75-61)41-63(77-65)59-37-43-5-9-45(59)11-7-44-6-10-46(12-8-43)60(38-44)64-42-68-66(78-64)40-62(76-68)48-15-19-50(20-16-48)70(53-25-33-57(73-3)34-26-53)54-27-35-58(74-4)36-28-54/h5-6,9-10,13-42H,7-8,11-12H2,1-4H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/neaojnolovrndm-uhfffaoysa-n/chmo0001146
title: 1H--13C heteronuclear single quantum coherence (1H-13C HSQC) ()
title: InChI=1S/C68H54N2O4S4/c1-71-55-29-21-51(22-30-55)69(52-23-31-56(72-2)32-24-52)49-17-13-47(14-18-49)61-39-65-67(75-61)41-63(77-65)59-37-43-5-9-45(59)11-7-44-6-10-46(12-8-43)60(38-44)64-42-68-66(78-64)40-62(76-68)48-15-19-50(20-16-48)70(53-25-33-57(73-3)34-26-53)54-27-35-58(74-4)36-28-54/h5-6,9-10,13-42H,7-8,11-12H2,1-4H3

description: dataset for 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
DOI: 10.14272/neaojnolovrndm-uhfffaoysa-n/chmo0001150
title: 1H--1H correlation spectroscopy (1H-1H COSY) ()
title: InChI=1S/C68H54N2O4S4/c1-71-55-29-21-51(22-30-55)69(52-23-31-56(72-2)32-24-52)49-17-13-47(14-18-49)61-39-65-67(75-61)41-63(77-65)59-37-43-5-9-45(59)11-7-44-6-10-46(12-8-43)60(38-44)64-42-68-66(78-64)40-62(76-68)48-15-19-50(20-16-48)70(53-25-33-57(73-3)34-26-53)54-27-35-58(74-4)36-28-54/h5-6,9-10,13-42H,7-8,11-12H2,1-4H3

description: dataset for 1H--1H correlation spectroscopy (1H-1H COSY)
DOI: 10.14272/neaojnolovrndm-uhfffaoysa-n.1
title: C68H54N2O4S4
title: InChI=1S/C68H54N2O4S4/c1-71-55-29-21-51(22-30-55)69(52-23-31-56(72-2)32-24-52)49-17-13-47(14-18-49)61-39-65-67(75-61)41-63(77-65)59-37-43-5-9-45(59)11-7-44-6-10-46(12-8-43)60(38-44)64-42-68-66(78-64)40-62(76-68)48-15-19-50(20-16-48)70(53-25-33-57(73-3)34-26-53)54-27-35-58(74-4)36-28-54/h5-6,9-10,13-42H,7-8,11-12H2,1-4H3

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/C68H54N2O4S4/c1-71-55-29-21-51(22-30-55)69(52-23-31-56(72-2)32-24-52)49-17-13-47(14-18-49)61-39-65-67(75-61)41-63(77-65)59-37-43-5-9-45(59)11-7-44-6-10-46(12-8-43)60(38-44)64-42-68-66(78-64)40-62(76-68)48-15-19-50(20-16-48)70(53-25-33-57(73-3)34-26-53)54-27-35-58(74-4)36-28-54/h5-6,9-10,13-42H,7-8,11-12H2,1-4H3, and canonical SMILES descriptor[cheminf_000007]: COc1ccc(cc1)N(c1ccc(cc1)OC)c1ccc(cc1)c1cc2c(s1)cc(s2)c1cc2CCc3ccc(CCc1cc2)cc3c1sc2c(c1)sc(c2)c1ccc(cc1)N(c1ccc(cc1)OC)c1ccc(cc1)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-48019

 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
 Melting point descriptor[CHEMINF_000256]: 166.0 (°C)
 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:0001150 | 1H--1H correlation spectroscopy (1H-1H COSY)
 
 CHMO:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR)
 
 CHMO:0001146 | 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
 
 CHMO:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR)
 
 CHMO:0000736 | electrospray ionisation time-of-flight mass spectrometry (ESI TOF MS)
 
 CHMO:0000630 | infrared absorption spectroscopy (IR)
 
 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/neaojnolovrndm-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C68H54N2O4S4/c1-71-55-29-21-51(22-30-55)69(52-23-31-56(72-2)32-24-52)49-17-13-47(14-18-49)61-39-65-67(75-61)41-63(77-65)59-37-43-5-9-45(59)11-7-44-6-10-46(12-8-43)60(38-44)64-42-68-66(78-64)40-62(76-68)48-15-19-50(20-16-48)70(53-25-33-57(73-3)34-26-53)54-27-35-58(74-4)36-28-54/h5-6,9-10,13-42H,7-8,11-12H2,1-4H3

description: dataset for infrared absorption spectroscopy (IR)
DOI: 10.14272/neaojnolovrndm-uhfffaoysa-n/chmo0000736
title: electrospray ionisation time-of-flight mass spectrometry (ESI TOF MS) ()
title: InChI=1S/C68H54N2O4S4/c1-71-55-29-21-51(22-30-55)69(52-23-31-56(72-2)32-24-52)49-17-13-47(14-18-49)61-39-65-67(75-61)41-63(77-65)59-37-43-5-9-45(59)11-7-44-6-10-46(12-8-43)60(38-44)64-42-68-66(78-64)40-62(76-68)48-15-19-50(20-16-48)70(53-25-33-57(73-3)34-26-53)54-27-35-58(74-4)36-28-54/h5-6,9-10,13-42H,7-8,11-12H2,1-4H3

description: dataset for electrospray ionisation time-of-flight mass spectrometry (ESI TOF MS)