cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.14272/miogqqggoczkbx-uhfffaoysa-n/chmo0001148
title: 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC) (trimethyl-(2-propan-2-ylphenyl)stannane)
title: InChI=1S/C9H11.3CH3.Sn/c1-8(2)9-6-4-3-5-7-9;;;;/h3-6,8H,1-2H3;3*1H3;

description: dataset for 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
DOI: 10.14272/miogqqggoczkbx-uhfffaoysa-n/chmo0001150
title: 1H--1H correlation spectroscopy (1H-1H COSY) (trimethyl-(2-propan-2-ylphenyl)stannane)
title: InChI=1S/C9H11.3CH3.Sn/c1-8(2)9-6-4-3-5-7-9;;;;/h3-6,8H,1-2H3;3*1H3;

description: dataset for 1H--1H correlation spectroscopy (1H-1H COSY)
DOI: 10.14272/miogqqggoczkbx-uhfffaoysa-n/chmo0000596.1
title: distortionless enhancement with polarization transfer (DEPT) (trimethyl-(2-propan-2-ylphenyl)stannane)
title: InChI=1S/C9H11.3CH3.Sn/c1-8(2)9-6-4-3-5-7-9;;;;/h3-6,8H,1-2H3;3*1H3;

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/miogqqggoczkbx-uhfffaoysa-n/chmo0001146
title: 1H--13C heteronuclear single quantum coherence (1H-13C HSQC) (trimethyl-(2-propan-2-ylphenyl)stannane)
title: InChI=1S/C9H11.3CH3.Sn/c1-8(2)9-6-4-3-5-7-9;;;;/h3-6,8H,1-2H3;3*1H3;

description: dataset for 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
DOI: 10.14272/miogqqggoczkbx-uhfffaoysa-n/chmo0000596
title: distortionless enhancement with polarization transfer (DEPT) (trimethyl-(2-propan-2-ylphenyl)stannane)
title: InChI=1S/C9H11.3CH3.Sn/c1-8(2)9-6-4-3-5-7-9;;;;/h3-6,8H,1-2H3;3*1H3;

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.15468/dl.uhdapd
title: Occurrence Download

description: A dataset containing 908619 species occurrences available in GBIF matching the query:
{
 "and" : [
 "SpeciesKey is one of (Vireo flavifrons)",
 "BasisOfRecord is one of (Human Observation, Observation, Occurrence evidence)",
 "Year is greater than or equal to 1951",
 "Year is less than or equal to 2024",
 "Month is greater than or equal to April",
 "Month is less than or equal to July",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "OccurrenceStatus is Present"
 ]
}

 The dataset includes 908619 records from 22 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0046507-251120083545085/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.14272/ctjgdmfzsjcpgg-uhfffaoysa-n.1
title: C36H20S9
title: InChI=1S/C36H20S9/c1-5-25(37-15-1)33-19-21(35(44-33)31-7-3-17-39-31)23-9-11-27(41-23)29-13-14-30(43-29)28-12-10-24(42-28)22-20-34(26-6-2-16-38-26)45-36(22)32-8-4-18-40-32/h1-20H

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/C36H20S9/c1-5-25(37-15-1)33-19-21(35(44-33)31-7-3-17-39-31)23-9-11-27(41-23)29-13-14-30(43-29)28-12-10-24(42-28)22-20-34(26-6-2-16-38-26)45-36(22)32-8-4-18-40-32/h1-20H, and canonical SMILES descriptor[cheminf_000007]: c1csc(c1)c1sc(cc1c1ccc(s1)c1ccc(s1)c1ccc(s1)c1cc(sc1c1cccs1)c1cccs1)c1cccs1, 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]:
 
 CC(O)=O
 
 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-58993

 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:0001150 | 1H--1H correlation spectroscopy (1H-1H COSY)
 
 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:0000596 | distortionless enhancement with polarization transfer (DEPT)
 
 CHMO:0000596 | distortionless enhancement with polarization transfer (DEPT)
 
 CHMO:0001148 | 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
 
 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/ctjgdmfzsjcpgg-uhfffaoysa-n/chmo0000596.1
title: distortionless enhancement with polarization transfer (DEPT) ()
title: InChI=1S/C36H20S9/c1-5-25(37-15-1)33-19-21(35(44-33)31-7-3-17-39-31)23-9-11-27(41-23)29-13-14-30(43-29)28-12-10-24(42-28)22-20-34(26-6-2-16-38-26)45-36(22)32-8-4-18-40-32/h1-20H

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/ctjgdmfzsjcpgg-uhfffaoysa-n/chmo0001146
title: 1H--13C heteronuclear single quantum coherence (1H-13C HSQC) ()
title: InChI=1S/C36H20S9/c1-5-25(37-15-1)33-19-21(35(44-33)31-7-3-17-39-31)23-9-11-27(41-23)29-13-14-30(43-29)28-12-10-24(42-28)22-20-34(26-6-2-16-38-26)45-36(22)32-8-4-18-40-32/h1-20H

description: dataset for 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
DOI: 10.14272/ctjgdmfzsjcpgg-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C36H20S9/c1-5-25(37-15-1)33-19-21(35(44-33)31-7-3-17-39-31)23-9-11-27(41-23)29-13-14-30(43-29)28-12-10-24(42-28)22-20-34(26-6-2-16-38-26)45-36(22)32-8-4-18-40-32/h1-20H

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/ctjgdmfzsjcpgg-uhfffaoysa-n/chmo0000596
title: distortionless enhancement with polarization transfer (DEPT) ()
title: InChI=1S/C36H20S9/c1-5-25(37-15-1)33-19-21(35(44-33)31-7-3-17-39-31)23-9-11-27(41-23)29-13-14-30(43-29)28-12-10-24(42-28)22-20-34(26-6-2-16-38-26)45-36(22)32-8-4-18-40-32/h1-20H

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/ctjgdmfzsjcpgg-uhfffaoysa-n/chmo0001150
title: 1H--1H correlation spectroscopy (1H-1H COSY) ()
title: InChI=1S/C36H20S9/c1-5-25(37-15-1)33-19-21(35(44-33)31-7-3-17-39-31)23-9-11-27(41-23)29-13-14-30(43-29)28-12-10-24(42-28)22-20-34(26-6-2-16-38-26)45-36(22)32-8-4-18-40-32/h1-20H

description: dataset for 1H--1H correlation spectroscopy (1H-1H COSY)
DOI: 10.14272/ctjgdmfzsjcpgg-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C36H20S9/c1-5-25(37-15-1)33-19-21(35(44-33)31-7-3-17-39-31)23-9-11-27(41-23)29-13-14-30(43-29)28-12-10-24(42-28)22-20-34(26-6-2-16-38-26)45-36(22)32-8-4-18-40-32/h1-20H

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/ctjgdmfzsjcpgg-uhfffaoysa-n/chmo0001148
title: 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC) ()
title: InChI=1S/C36H20S9/c1-5-25(37-15-1)33-19-21(35(44-33)31-7-3-17-39-31)23-9-11-27(41-23)29-13-14-30(43-29)28-12-10-24(42-28)22-20-34(26-6-2-16-38-26)45-36(22)32-8-4-18-40-32/h1-20H

description: dataset for 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
DOI: 10.14272/byhcchzndgzvkm-uhfffaoysa-n.1
title: 2-N',5-N'-bis(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)thiophene-2,5-dicarbohydrazide
title: InChI=1S/C24H24N4O4S3/c29-21(25-27-23(31)19-11-13-5-1-3-7-15(13)33-19)17-9-10-18(35-17)22(30)26-28-24(32)20-12-14-6-2-4-8-16(14)34-20/h9-12H,1-8H2,(H,25,29)(H,26,30)(H,27,31)(H,28,32)

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/C24H24N4O4S3/c29-21(25-27-23(31)19-11-13-5-1-3-7-15(13)33-19)17-9-10-18(35-17)22(30)26-28-24(32)20-12-14-6-2-4-8-16(14)34-20/h9-12H,1-8H2,(H,25,29)(H,26,30)(H,27,31)(H,28,32), and canonical SMILES descriptor[cheminf_000007]: O=C(c1ccc(s1)C(=O)NNC(=O)c1cc2c(s1)CCCC2)NNC(=O)c1cc2c(s1)CCCC2, and by the IUPAC name[cheminf_000107]: 2-N',5-N'-bis(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)thiophene-2,5-dicarbohydrazide.
 
 The physical chemical entity[CHEBI_24431] has a component solvent[CHEBI_46787] which is described by the canonical SMILES descriptor[cheminf_000007]:
 
 CC(O)=O
 
 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-59001

 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:0000596 | distortionless enhancement with polarization transfer (DEPT)
 
 CHMO:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR)
 
 CHMO:0000596 | distortionless enhancement with polarization transfer (DEPT)
 
 CHMO:0001146 | 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
 
 CHMO:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR)
 
 CHMO:0001148 | 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
 
 CHMO:0001150 | 1H--1H correlation spectroscopy (1H-1H COSY)
 
 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/byhcchzndgzvkm-uhfffaoysa-n/chmo0000596.1
title: distortionless enhancement with polarization transfer (DEPT) (2-N',5-N'-bis(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)thiophene-2,5-dicarbohydrazide)
title: InChI=1S/C24H24N4O4S3/c29-21(25-27-23(31)19-11-13-5-1-3-7-15(13)33-19)17-9-10-18(35-17)22(30)26-28-24(32)20-12-14-6-2-4-8-16(14)34-20/h9-12H,1-8H2,(H,25,29)(H,26,30)(H,27,31)(H,28,32)

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/byhcchzndgzvkm-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (2-N',5-N'-bis(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)thiophene-2,5-dicarbohydrazide)
title: InChI=1S/C24H24N4O4S3/c29-21(25-27-23(31)19-11-13-5-1-3-7-15(13)33-19)17-9-10-18(35-17)22(30)26-28-24(32)20-12-14-6-2-4-8-16(14)34-20/h9-12H,1-8H2,(H,25,29)(H,26,30)(H,27,31)(H,28,32)

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/byhcchzndgzvkm-uhfffaoysa-n/chmo0001150
title: 1H--1H correlation spectroscopy (1H-1H COSY) (2-N',5-N'-bis(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)thiophene-2,5-dicarbohydrazide)
title: InChI=1S/C24H24N4O4S3/c29-21(25-27-23(31)19-11-13-5-1-3-7-15(13)33-19)17-9-10-18(35-17)22(30)26-28-24(32)20-12-14-6-2-4-8-16(14)34-20/h9-12H,1-8H2,(H,25,29)(H,26,30)(H,27,31)(H,28,32)

description: dataset for 1H--1H correlation spectroscopy (1H-1H COSY)
DOI: 10.14272/byhcchzndgzvkm-uhfffaoysa-n/chmo0001146
title: 1H--13C heteronuclear single quantum coherence (1H-13C HSQC) (2-N',5-N'-bis(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)thiophene-2,5-dicarbohydrazide)
title: InChI=1S/C24H24N4O4S3/c29-21(25-27-23(31)19-11-13-5-1-3-7-15(13)33-19)17-9-10-18(35-17)22(30)26-28-24(32)20-12-14-6-2-4-8-16(14)34-20/h9-12H,1-8H2,(H,25,29)(H,26,30)(H,27,31)(H,28,32)

description: dataset for 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
DOI: 10.14272/byhcchzndgzvkm-uhfffaoysa-n/chmo0001148
title: 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC) (2-N',5-N'-bis(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)thiophene-2,5-dicarbohydrazide)
title: InChI=1S/C24H24N4O4S3/c29-21(25-27-23(31)19-11-13-5-1-3-7-15(13)33-19)17-9-10-18(35-17)22(30)26-28-24(32)20-12-14-6-2-4-8-16(14)34-20/h9-12H,1-8H2,(H,25,29)(H,26,30)(H,27,31)(H,28,32)

description: dataset for 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
DOI: 10.14272/byhcchzndgzvkm-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (2-N',5-N'-bis(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)thiophene-2,5-dicarbohydrazide)
title: InChI=1S/C24H24N4O4S3/c29-21(25-27-23(31)19-11-13-5-1-3-7-15(13)33-19)17-9-10-18(35-17)22(30)26-28-24(32)20-12-14-6-2-4-8-16(14)34-20/h9-12H,1-8H2,(H,25,29)(H,26,30)(H,27,31)(H,28,32)

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/byhcchzndgzvkm-uhfffaoysa-n/chmo0000596
title: distortionless enhancement with polarization transfer (DEPT) (2-N',5-N'-bis(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)thiophene-2,5-dicarbohydrazide)
title: InChI=1S/C24H24N4O4S3/c29-21(25-27-23(31)19-11-13-5-1-3-7-15(13)33-19)17-9-10-18(35-17)22(30)26-28-24(32)20-12-14-6-2-4-8-16(14)34-20/h9-12H,1-8H2,(H,25,29)(H,26,30)(H,27,31)(H,28,32)

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/xonbhtjvtafjby-uhfffaoysa-m/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C90H50NS21.CHF3O3S/c1-91-32-30-49(31-33-91)77-42-54(61-18-21-66(100-61)82-47-55(62-19-22-64(101-62)78-43-50(57-10-2-34-92-57)84(107-78)70-14-6-38-96-70)89(111-82)75-28-25-67(104-75)80-45-52(59-12-4-36-94-59)86(109-80)72-16-8-40-98-72)88(106-77)74-27-24-69(103-74)83-48-56(63-20-23-65(102-63)79-44-51(58-11-3-35-93-58)85(108-79)71-15-7-39-97-71)90(112-83)76-29-26-68(105-76)81-46-53(60-13-5-37-95-60)87(110-81)73-17-9-41-99-73;2-1(3,4)8(5,6)7/h2-48H,1H3;(H,5,6,7)/q+1;/p-1

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/xonbhtjvtafjby-uhfffaoysa-m/chmo0000596.1
title: distortionless enhancement with polarization transfer (DEPT) ()
title: InChI=1S/C90H50NS21.CHF3O3S/c1-91-32-30-49(31-33-91)77-42-54(61-18-21-66(100-61)82-47-55(62-19-22-64(101-62)78-43-50(57-10-2-34-92-57)84(107-78)70-14-6-38-96-70)89(111-82)75-28-25-67(104-75)80-45-52(59-12-4-36-94-59)86(109-80)72-16-8-40-98-72)88(106-77)74-27-24-69(103-74)83-48-56(63-20-23-65(102-63)79-44-51(58-11-3-35-93-58)85(108-79)71-15-7-39-97-71)90(112-83)76-29-26-68(105-76)81-46-53(60-13-5-37-95-60)87(110-81)73-17-9-41-99-73;2-1(3,4)8(5,6)7/h2-48H,1H3;(H,5,6,7)/q+1;/p-1

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/xonbhtjvtafjby-uhfffaoysa-m/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C90H50NS21.CHF3O3S/c1-91-32-30-49(31-33-91)77-42-54(61-18-21-66(100-61)82-47-55(62-19-22-64(101-62)78-43-50(57-10-2-34-92-57)84(107-78)70-14-6-38-96-70)89(111-82)75-28-25-67(104-75)80-45-52(59-12-4-36-94-59)86(109-80)72-16-8-40-98-72)88(106-77)74-27-24-69(103-74)83-48-56(63-20-23-65(102-63)79-44-51(58-11-3-35-93-58)85(108-79)71-15-7-39-97-71)90(112-83)76-29-26-68(105-76)81-46-53(60-13-5-37-95-60)87(110-81)73-17-9-41-99-73;2-1(3,4)8(5,6)7/h2-48H,1H3;(H,5,6,7)/q+1;/p-1

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/xonbhtjvtafjby-uhfffaoysa-m/chmo0000596
title: distortionless enhancement with polarization transfer (DEPT) ()
title: InChI=1S/C90H50NS21.CHF3O3S/c1-91-32-30-49(31-33-91)77-42-54(61-18-21-66(100-61)82-47-55(62-19-22-64(101-62)78-43-50(57-10-2-34-92-57)84(107-78)70-14-6-38-96-70)89(111-82)75-28-25-67(104-75)80-45-52(59-12-4-36-94-59)86(109-80)72-16-8-40-98-72)88(106-77)74-27-24-69(103-74)83-48-56(63-20-23-65(102-63)79-44-51(58-11-3-35-93-58)85(108-79)71-15-7-39-97-71)90(112-83)76-29-26-68(105-76)81-46-53(60-13-5-37-95-60)87(110-81)73-17-9-41-99-73;2-1(3,4)8(5,6)7/h2-48H,1H3;(H,5,6,7)/q+1;/p-1

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/xonbhtjvtafjby-uhfffaoysa-m/chmo0001148
title: 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC) ()
title: InChI=1S/C90H50NS21.CHF3O3S/c1-91-32-30-49(31-33-91)77-42-54(61-18-21-66(100-61)82-47-55(62-19-22-64(101-62)78-43-50(57-10-2-34-92-57)84(107-78)70-14-6-38-96-70)89(111-82)75-28-25-67(104-75)80-45-52(59-12-4-36-94-59)86(109-80)72-16-8-40-98-72)88(106-77)74-27-24-69(103-74)83-48-56(63-20-23-65(102-63)79-44-51(58-11-3-35-93-58)85(108-79)71-15-7-39-97-71)90(112-83)76-29-26-68(105-76)81-46-53(60-13-5-37-95-60)87(110-81)73-17-9-41-99-73;2-1(3,4)8(5,6)7/h2-48H,1H3;(H,5,6,7)/q+1;/p-1

description: dataset for 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
DOI: 10.14272/xonbhtjvtafjby-uhfffaoysa-m/chmo0000597
title: 19F nuclear magnetic resonance spectroscopy (19F NMR) ()
title: InChI=1S/C90H50NS21.CHF3O3S/c1-91-32-30-49(31-33-91)77-42-54(61-18-21-66(100-61)82-47-55(62-19-22-64(101-62)78-43-50(57-10-2-34-92-57)84(107-78)70-14-6-38-96-70)89(111-82)75-28-25-67(104-75)80-45-52(59-12-4-36-94-59)86(109-80)72-16-8-40-98-72)88(106-77)74-27-24-69(103-74)83-48-56(63-20-23-65(102-63)79-44-51(58-11-3-35-93-58)85(108-79)71-15-7-39-97-71)90(112-83)76-29-26-68(105-76)81-46-53(60-13-5-37-95-60)87(110-81)73-17-9-41-99-73;2-1(3,4)8(5,6)7/h2-48H,1H3;(H,5,6,7)/q+1;/p-1

description: dataset for 19F nuclear magnetic resonance spectroscopy (19F NMR)
DOI: 10.14272/xonbhtjvtafjby-uhfffaoysa-m/chmo0001146
title: 1H--13C heteronuclear single quantum coherence (1H-13C HSQC) ()
title: InChI=1S/C90H50NS21.CHF3O3S/c1-91-32-30-49(31-33-91)77-42-54(61-18-21-66(100-61)82-47-55(62-19-22-64(101-62)78-43-50(57-10-2-34-92-57)84(107-78)70-14-6-38-96-70)89(111-82)75-28-25-67(104-75)80-45-52(59-12-4-36-94-59)86(109-80)72-16-8-40-98-72)88(106-77)74-27-24-69(103-74)83-48-56(63-20-23-65(102-63)79-44-51(58-11-3-35-93-58)85(108-79)71-15-7-39-97-71)90(112-83)76-29-26-68(105-76)81-46-53(60-13-5-37-95-60)87(110-81)73-17-9-41-99-73;2-1(3,4)8(5,6)7/h2-48H,1H3;(H,5,6,7)/q+1;/p-1

description: dataset for 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
DOI: 10.14272/xonbhtjvtafjby-uhfffaoysa-m/chmo0001150
title: 1H--1H correlation spectroscopy (1H-1H COSY) ()
title: InChI=1S/C90H50NS21.CHF3O3S/c1-91-32-30-49(31-33-91)77-42-54(61-18-21-66(100-61)82-47-55(62-19-22-64(101-62)78-43-50(57-10-2-34-92-57)84(107-78)70-14-6-38-96-70)89(111-82)75-28-25-67(104-75)80-45-52(59-12-4-36-94-59)86(109-80)72-16-8-40-98-72)88(106-77)74-27-24-69(103-74)83-48-56(63-20-23-65(102-63)79-44-51(58-11-3-35-93-58)85(108-79)71-15-7-39-97-71)90(112-83)76-29-26-68(105-76)81-46-53(60-13-5-37-95-60)87(110-81)73-17-9-41-99-73;2-1(3,4)8(5,6)7/h2-48H,1H3;(H,5,6,7)/q+1;/p-1

description: dataset for 1H--1H correlation spectroscopy (1H-1H COSY)
DOI: 10.14272/fhhmwslxuhvmkh-uhfffaoysa-n.1
title: (2-methylpropan-2-yl)oxy-triphenylsilane
title: InChI=1S/C22H24OSi/c1-22(2,3)23-24(19-13-7-4-8-14-19,20-15-9-5-10-16-20)21-17-11-6-12-18-21/h4-18H,1-3H3

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/C22H24OSi/c1-22(2,3)23-24(19-13-7-4-8-14-19,20-15-9-5-10-16-20)21-17-11-6-12-18-21/h4-18H,1-3H3, and canonical SMILES descriptor[cheminf_000007]: CC(O[Si](c1ccccc1)(c1ccccc1)c1ccccc1)(C)C, and by the IUPAC name[cheminf_000107]: (2-methylpropan-2-yl)oxy-triphenylsilane.
 
 The physical chemical entity[CHEBI_24431] has a component solvent[CHEBI_46787] which is described by the canonical SMILES descriptor[cheminf_000007]:
 
 CC(O)=O
 
 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-58968

 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:0001150 | 1H--1H correlation spectroscopy (1H-1H COSY)
 
 CHMO:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR)
 
 CHMO:0000596 | distortionless enhancement with polarization transfer (DEPT)
 
 CHMO:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR)
 
 CHMO:0000596 | distortionless enhancement with polarization transfer (DEPT)
 
 CHMO:0001146 | 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
 
 CHMO:0001148 | 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
 
 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/fhhmwslxuhvmkh-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ((2-methylpropan-2-yl)oxy-triphenylsilane)
title: InChI=1S/C22H24OSi/c1-22(2,3)23-24(19-13-7-4-8-14-19,20-15-9-5-10-16-20)21-17-11-6-12-18-21/h4-18H,1-3H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/fhhmwslxuhvmkh-uhfffaoysa-n/chmo0001148
title: 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC) ((2-methylpropan-2-yl)oxy-triphenylsilane)
title: InChI=1S/C22H24OSi/c1-22(2,3)23-24(19-13-7-4-8-14-19,20-15-9-5-10-16-20)21-17-11-6-12-18-21/h4-18H,1-3H3

description: dataset for 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
DOI: 10.14272/fhhmwslxuhvmkh-uhfffaoysa-n/chmo0001146
title: 1H--13C heteronuclear single quantum coherence (1H-13C HSQC) ((2-methylpropan-2-yl)oxy-triphenylsilane)
title: InChI=1S/C22H24OSi/c1-22(2,3)23-24(19-13-7-4-8-14-19,20-15-9-5-10-16-20)21-17-11-6-12-18-21/h4-18H,1-3H3

description: dataset for 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
DOI: 10.14272/fhhmwslxuhvmkh-uhfffaoysa-n/chmo0001150
title: 1H--1H correlation spectroscopy (1H-1H COSY) ((2-methylpropan-2-yl)oxy-triphenylsilane)
title: InChI=1S/C22H24OSi/c1-22(2,3)23-24(19-13-7-4-8-14-19,20-15-9-5-10-16-20)21-17-11-6-12-18-21/h4-18H,1-3H3

description: dataset for 1H--1H correlation spectroscopy (1H-1H COSY)
DOI: 10.14272/fhhmwslxuhvmkh-uhfffaoysa-n/chmo0000596.1
title: distortionless enhancement with polarization transfer (DEPT) ((2-methylpropan-2-yl)oxy-triphenylsilane)
title: InChI=1S/C22H24OSi/c1-22(2,3)23-24(19-13-7-4-8-14-19,20-15-9-5-10-16-20)21-17-11-6-12-18-21/h4-18H,1-3H3

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/fhhmwslxuhvmkh-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ((2-methylpropan-2-yl)oxy-triphenylsilane)
title: InChI=1S/C22H24OSi/c1-22(2,3)23-24(19-13-7-4-8-14-19,20-15-9-5-10-16-20)21-17-11-6-12-18-21/h4-18H,1-3H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/fhhmwslxuhvmkh-uhfffaoysa-n/chmo0000596
title: distortionless enhancement with polarization transfer (DEPT) ((2-methylpropan-2-yl)oxy-triphenylsilane)
title: InChI=1S/C22H24OSi/c1-22(2,3)23-24(19-13-7-4-8-14-19,20-15-9-5-10-16-20)21-17-11-6-12-18-21/h4-18H,1-3H3

description: dataset for distortionless enhancement with polarization transfer (DEPT)