cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.15468/dl.692dfz
title: Occurrence Download

description: A dataset containing 819727 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Mammalia",
 "HasGeospatialIssue is false",
 "HasCoordinate is true",
 "OccurrenceStatus is Present",
 "Year is greater than or equal to 2016",
 "Year is less than or equal to 2021",
 {
 "not" : {
 "BasisOfRecord" : [
 "is one of (Fossil, Living Specimen)"
 ]
 }
 },
 "Country is United Kingdom of Great Britain and Northern Ireland",
 {
 "or" : [
 {
 "not" : {
 "EstablishmentMeans" : [
 "is one of (MANAGED, INTRODUCED)"
 ]
 }
 },
 "EstablishmentMeans is null"
 ]
 },
 {
 "or" : [
 "CoordinateUncertaintyInMeters is less than 1000",
 "CoordinateUncertaintyInMeters is null"
 ]
 }
 ]
}

 The dataset includes 819727 records from 129 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0007007-250914085247600/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.6084/m9.figshare.17215103.v1
title: Data from: Correlational selection and genetic architecture promote the leaf economics spectrum in a perennial grass

description: Data and code used for analyses in the manuscript "Correlational selection and genetic architecture promote the leaf economics spectrum in a perennial grass"
DOI: 10.14272/mzcrlyfxqlvxfg-uhfffaoysa-n.1
title: 3-(9,9'-spirobi[fluoren]-2-yl)quinolino[3,2,1-de]acridine-5,9-dione
title: InChI=1S/C45H25NO2/c47-43-32-13-4-8-19-40(32)46-41-23-21-26(24-35(41)44(48)34-15-9-14-33(43)42(34)46)27-20-22-31-30-12-3-7-18-38(30)45(39(31)25-27)36-16-5-1-10-28(36)29-11-2-6-17-37(29)45/h1-25H

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/C45H25NO2/c47-43-32-13-4-8-19-40(32)46-41-23-21-26(24-35(41)44(48)34-15-9-14-33(43)42(34)46)27-20-22-31-30-12-3-7-18-38(30)45(39(31)25-27)36-16-5-1-10-28(36)29-11-2-6-17-37(29)45/h1-25H, and canonical SMILES descriptor[cheminf_000007]: O=c1c2cc(ccc2n2c3c1cccc3c(=O)c1c2cccc1)c1ccc2-c3c(C4(c2c1)c1ccccc1-c1c4cccc1)cccc3, 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-35610

 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
 Melting point descriptor[CHEMINF_000256]: 178.0 (°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:0000498 | high-resolution mass spectrometry (HRMS)
 
 CHMO:0000630 | infrared absorption spectroscopy (IR)
 
 CHMO:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR)
 
 CHMO:0001148 | 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
 
 CHMO:0001146 | 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
 
 CHMO:0000563 | fast-atom bombardment mass spectrometry (FABMS)
 
 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: 10.15468/dl.wpm5t8
title: Occurrence Download

description: A dataset containing 552744 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is one of (Inimicus filamentosus, Synanceia horrida, Synanceia verrucosa, Ablabys binotatus, Ablabys taenianotus, Centropogon latifrons, Liocranium praepositum, Neovespicula depressifrons, Paracentropogon longispinis, Prionotus ophryas, Prionotus punctatus, Anthias anthias, Hypoplectrodes nigroruber, Luzonichthys earlei, Luzonichthys taeniatus, Luzonichthys waitei, Luzonichthys whitleyi, Mirolabrichthys evansi, Mirolabrichthys pascalus, Mirolabrichthys tuka, Nemanthias, Nemanthias, Nemanthias carberryi, Nemanthias, Odontanthias borbonius, Plectranthias altipinnatus, Plectranthias inermis, Plectranthias pelicieri, Pseudanthias bimaculatus, Pseudanthias cooperi, Pseudanthias engelhardi, Pseudanthias fasciatus, Pseudanthias flavicauda, Pseudanthias hawaiiensis, Pseudanthias heemstrai, Pseudanthias huchtii, Pseudanthias hutomoi, Pseudanthias hypselosoma, Pseudanthias ignitus, Pseudanthias leucozonus, Pseudanthias luzonensis, Pseudanthias pictilis, Pseudanthias pleurotaenia, Pseudanthias pulcherrimus, Pseudanthias randalli, Pseudanthias rubrizonatus, Pseudanthias squamipinnis, Pseudanthias taeniatus, Pseudanthias taira, Pseudanthias thompsoni, Pseudanthias ventralis, Pyronotanthias, Pyronotanthias, Pyronotanthias, Pyronotanthias, Pyronotanthias, Pyronotanthias, Rabaulichthys squirei, Serranocirrhitus latus, Aethaloperca rogaa, Alphestes afer, Anyperodon leucogrammicus, Cephalopholis argus, Cephalopholis boenak, Cephalopholis formosa, Cephalopholis fulva, Cephalopholis miniata, Cephalopholis oligosticta, Cephalopholis polleni, Cephalopholis polyspila, Cephalopholis sexmaculata, Cephalopholis urodeta, Chromileptes altivelis, Dermatolepis inermis, Epinephelus adscensionis, Epinephelus coeruleopunctatus, Epinephelus coioides, Epinephelus cyanopodus, Epinephelus fasciatus, Epinephelus flavocaeruleus, Chrysiptera hemicyanea, Epinephelus howlandi, Plectroglyphidodon dickii, Epinephelus maculatus, Epinephelus merra, Bolbometopon muricatum, Sebastes constellatus, Gracila albomarginata, Sebastes melanops, Sebastes nigrocinctus, Mycteroperca tigris, Sebastes paucispinis, Paranthias colonus, Paranthias furcifer, Plectropomus laevis, Plectropomus leopardus, Plectropomus punctatus, Variola louti, Grammistes sexlineatus, Pogonoperca punctata)",
 "HasCoordinate is true"
 ]
}

 The dataset includes 552744 records from 499 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0007054-250914085247600/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.14272/mzcrlyfxqlvxfg-uhfffaoysa-n/chmo0001148
title: 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC) ()
title: InChI=1S/C45H25NO2/c47-43-32-13-4-8-19-40(32)46-41-23-21-26(24-35(41)44(48)34-15-9-14-33(43)42(34)46)27-20-22-31-30-12-3-7-18-38(30)45(39(31)25-27)36-16-5-1-10-28(36)29-11-2-6-17-37(29)45/h1-25H

description: dataset for 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
DOI: 10.14272/mzcrlyfxqlvxfg-uhfffaoysa-n/chmo0000563
title: fast-atom bombardment mass spectrometry (FABMS) ()
title: InChI=1S/C45H25NO2/c47-43-32-13-4-8-19-40(32)46-41-23-21-26(24-35(41)44(48)34-15-9-14-33(43)42(34)46)27-20-22-31-30-12-3-7-18-38(30)45(39(31)25-27)36-16-5-1-10-28(36)29-11-2-6-17-37(29)45/h1-25H

description: dataset for fast-atom bombardment mass spectrometry (FABMS)
DOI: 10.14272/mzcrlyfxqlvxfg-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C45H25NO2/c47-43-32-13-4-8-19-40(32)46-41-23-21-26(24-35(41)44(48)34-15-9-14-33(43)42(34)46)27-20-22-31-30-12-3-7-18-38(30)45(39(31)25-27)36-16-5-1-10-28(36)29-11-2-6-17-37(29)45/h1-25H

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/mzcrlyfxqlvxfg-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C45H25NO2/c47-43-32-13-4-8-19-40(32)46-41-23-21-26(24-35(41)44(48)34-15-9-14-33(43)42(34)46)27-20-22-31-30-12-3-7-18-38(30)45(39(31)25-27)36-16-5-1-10-28(36)29-11-2-6-17-37(29)45/h1-25H

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/mzcrlyfxqlvxfg-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C45H25NO2/c47-43-32-13-4-8-19-40(32)46-41-23-21-26(24-35(41)44(48)34-15-9-14-33(43)42(34)46)27-20-22-31-30-12-3-7-18-38(30)45(39(31)25-27)36-16-5-1-10-28(36)29-11-2-6-17-37(29)45/h1-25H

description: dataset for infrared absorption spectroscopy (IR)
DOI: 10.14272/mzcrlyfxqlvxfg-uhfffaoysa-n/chmo0001150
title: 1H--1H correlation spectroscopy (1H-1H COSY) ()
title: InChI=1S/C45H25NO2/c47-43-32-13-4-8-19-40(32)46-41-23-21-26(24-35(41)44(48)34-15-9-14-33(43)42(34)46)27-20-22-31-30-12-3-7-18-38(30)45(39(31)25-27)36-16-5-1-10-28(36)29-11-2-6-17-37(29)45/h1-25H

description: dataset for 1H--1H correlation spectroscopy (1H-1H COSY)
DOI: 10.14272/mzcrlyfxqlvxfg-uhfffaoysa-n/chmo0001146
title: 1H--13C heteronuclear single quantum coherence (1H-13C HSQC) ()
title: InChI=1S/C45H25NO2/c47-43-32-13-4-8-19-40(32)46-41-23-21-26(24-35(41)44(48)34-15-9-14-33(43)42(34)46)27-20-22-31-30-12-3-7-18-38(30)45(39(31)25-27)36-16-5-1-10-28(36)29-11-2-6-17-37(29)45/h1-25H

description: dataset for 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
DOI: 10.14272/mzcrlyfxqlvxfg-uhfffaoysa-n/chmo0000498
title: high-resolution mass spectrometry (HRMS) ()
title: InChI=1S/C45H25NO2/c47-43-32-13-4-8-19-40(32)46-41-23-21-26(24-35(41)44(48)34-15-9-14-33(43)42(34)46)27-20-22-31-30-12-3-7-18-38(30)45(39(31)25-27)36-16-5-1-10-28(36)29-11-2-6-17-37(29)45/h1-25H

description: dataset for high-resolution mass spectrometry (HRMS)
DOI: 10.14272/xqdrtkfbestnkb-uhfffaoysa-n/chmo0001148.1
title: 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC) ()
title: InChI=1S/C41H29NO4/c1-45-39(43)32-18-12-19-33(40(44)46-2)38(32)42(26-13-4-3-5-14-26)27-23-24-31-30-17-8-11-22-36(30)41(37(31)25-27)34-20-9-6-15-28(34)29-16-7-10-21-35(29)41/h3-25H,1-2H3

description: dataset for 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
DOI: 10.14272/xqdrtkfbestnkb-uhfffaoysa-n/chmo0000630.1
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C41H29NO4/c1-45-39(43)32-18-12-19-33(40(44)46-2)38(32)42(26-13-4-3-5-14-26)27-23-24-31-30-17-8-11-22-36(30)41(37(31)25-27)34-20-9-6-15-28(34)29-16-7-10-21-35(29)41/h3-25H,1-2H3

description: dataset for infrared absorption spectroscopy (IR)
DOI: 10.14272/xqdrtkfbestnkb-uhfffaoysa-n/chmo0002337.1
title: electrospray ionisation quadrupole detection (ESI Q Trap) ()
title: InChI=1S/C41H29NO4/c1-45-39(43)32-18-12-19-33(40(44)46-2)38(32)42(26-13-4-3-5-14-26)27-23-24-31-30-17-8-11-22-36(30)41(37(31)25-27)34-20-9-6-15-28(34)29-16-7-10-21-35(29)41/h3-25H,1-2H3

description: dataset for electrospray ionisation quadrupole detection (ESI Q Trap)
DOI: 10.14272/xqdrtkfbestnkb-uhfffaoysa-n/chmo0001150.1
title: 1H--1H correlation spectroscopy (1H-1H COSY) ()
title: InChI=1S/C41H29NO4/c1-45-39(43)32-18-12-19-33(40(44)46-2)38(32)42(26-13-4-3-5-14-26)27-23-24-31-30-17-8-11-22-36(30)41(37(31)25-27)34-20-9-6-15-28(34)29-16-7-10-21-35(29)41/h3-25H,1-2H3

description: dataset for 1H--1H correlation spectroscopy (1H-1H COSY)
DOI: 10.14272/xqdrtkfbestnkb-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C41H29NO4/c1-45-39(43)32-18-12-19-33(40(44)46-2)38(32)42(26-13-4-3-5-14-26)27-23-24-31-30-17-8-11-22-36(30)41(37(31)25-27)34-20-9-6-15-28(34)29-16-7-10-21-35(29)41/h3-25H,1-2H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/xqdrtkfbestnkb-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C41H29NO4/c1-45-39(43)32-18-12-19-33(40(44)46-2)38(32)42(26-13-4-3-5-14-26)27-23-24-31-30-17-8-11-22-36(30)41(37(31)25-27)34-20-9-6-15-28(34)29-16-7-10-21-35(29)41/h3-25H,1-2H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/xqdrtkfbestnkb-uhfffaoysa-n/chmo0001146.1
title: 1H--13C heteronuclear single quantum coherence (1H-13C HSQC) ()
title: InChI=1S/C41H29NO4/c1-45-39(43)32-18-12-19-33(40(44)46-2)38(32)42(26-13-4-3-5-14-26)27-23-24-31-30-17-8-11-22-36(30)41(37(31)25-27)34-20-9-6-15-28(34)29-16-7-10-21-35(29)41/h3-25H,1-2H3

description: dataset for 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
DOI: 10.14272/xqdrtkfbestnkb-uhfffaoysa-n.2
title: C41H29NO4
title: InChI=1S/C41H29NO4/c1-45-39(43)32-18-12-19-33(40(44)46-2)38(32)42(26-13-4-3-5-14-26)27-23-24-31-30-17-8-11-22-36(30)41(37(31)25-27)34-20-9-6-15-28(34)29-16-7-10-21-35(29)41/h3-25H,1-2H3

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/C41H29NO4/c1-45-39(43)32-18-12-19-33(40(44)46-2)38(32)42(26-13-4-3-5-14-26)27-23-24-31-30-17-8-11-22-36(30)41(37(31)25-27)34-20-9-6-15-28(34)29-16-7-10-21-35(29)41/h3-25H,1-2H3, and canonical SMILES descriptor[cheminf_000007]: COC(=O)c1cccc(c1N(c1ccc2-c3c(C4(c2c1)c1ccccc1-c1c4cccc1)cccc3)c1ccccc1)C(=O)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-34269

 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
 Melting point descriptor[CHEMINF_000256]: 184.0 (°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:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR)
 
 CHMO:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR)
 
 CHMO:0001150 | 1H--1H correlation spectroscopy (1H-1H COSY)
 
 CHMO:0001146 | 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
 
 CHMO:0001148 | 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
 
 CHMO:0000630 | infrared absorption spectroscopy (IR)
 
 CHMO:0002337 | electrospray ionisation quadrupole detection (ESI Q Trap)
 
 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: 10.15468/dl.n2nhqk
title: Occurrence Download

description: A dataset containing 857 species occurrences available in GBIF matching the query:
{
 "and" : [
 "BasisOfRecord is Human Observation",
 "Country is Zimbabwe",
 "DatasetKey is EOD – eBird Observation Dataset",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "Issue is Continent derived from coordinates",
 "License is CC-BY 4.0",
 "TaxonKey is Aquila rapax",
 "Year 2019-2025"
 ]
}

 The dataset includes 857 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0007074-250914085247600/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.7910/dvn/sqkgfz
title: Replication Data for: The Influence of the Interaction between Perceived Similarity and Substitutability on the Evaluation of Copycat Brands

description: This is the data from a research paper on copycat brand. This set of data consists of three experiments with a total of five sets of data, which is used to study the characteristics of brand imitation and how the interaction between personality traits and brand attitude affects consumers.
DOI: 10.14272/ghpomfombisjgm-uhfffaoysa-n/chmo0001146
title: 1H--13C heteronuclear single quantum coherence (1H-13C HSQC) (dimethyl 2-bromobenzene-1,3-dicarboxylate)
title: InChI=1S/C10H9BrO4/c1-14-9(12)6-4-3-5-7(8(6)11)10(13)15-2/h3-5H,1-2H3

description: dataset for 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
DOI: 10.14272/ghpomfombisjgm-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (dimethyl 2-bromobenzene-1,3-dicarboxylate)
title: InChI=1S/C10H9BrO4/c1-14-9(12)6-4-3-5-7(8(6)11)10(13)15-2/h3-5H,1-2H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/ghpomfombisjgm-uhfffaoysa-n.1
title: dimethyl 2-bromobenzene-1,3-dicarboxylate
title: InChI=1S/C10H9BrO4/c1-14-9(12)6-4-3-5-7(8(6)11)10(13)15-2/h3-5H,1-2H3

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/C10H9BrO4/c1-14-9(12)6-4-3-5-7(8(6)11)10(13)15-2/h3-5H,1-2H3, and canonical SMILES descriptor[cheminf_000007]: COC(=O)c1cccc(c1Br)C(=O)OC, and by the IUPAC name[cheminf_000107]: dimethyl 2-bromobenzene-1,3-dicarboxylate.
 
 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-34285

 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:0001150 | 1H--1H correlation spectroscopy (1H-1H COSY)
 
 CHMO:0001148 | 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
 
 CHMO:0001146 | 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
 
 CHMO:0000630 | infrared absorption spectroscopy (IR)
 
 CHMO:0002337 | electrospray ionisation quadrupole detection (ESI Q Trap)
 
 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/ghpomfombisjgm-uhfffaoysa-n/chmo0001150
title: 1H--1H correlation spectroscopy (1H-1H COSY) (dimethyl 2-bromobenzene-1,3-dicarboxylate)
title: InChI=1S/C10H9BrO4/c1-14-9(12)6-4-3-5-7(8(6)11)10(13)15-2/h3-5H,1-2H3

description: dataset for 1H--1H correlation spectroscopy (1H-1H COSY)
DOI: 10.14272/ghpomfombisjgm-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) (dimethyl 2-bromobenzene-1,3-dicarboxylate)
title: InChI=1S/C10H9BrO4/c1-14-9(12)6-4-3-5-7(8(6)11)10(13)15-2/h3-5H,1-2H3

description: dataset for infrared absorption spectroscopy (IR)
DOI: 10.14272/ghpomfombisjgm-uhfffaoysa-n/chmo0001148
title: 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC) (dimethyl 2-bromobenzene-1,3-dicarboxylate)
title: InChI=1S/C10H9BrO4/c1-14-9(12)6-4-3-5-7(8(6)11)10(13)15-2/h3-5H,1-2H3

description: dataset for 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
DOI: 10.14272/ghpomfombisjgm-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (dimethyl 2-bromobenzene-1,3-dicarboxylate)
title: InChI=1S/C10H9BrO4/c1-14-9(12)6-4-3-5-7(8(6)11)10(13)15-2/h3-5H,1-2H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/ghpomfombisjgm-uhfffaoysa-n/chmo0002337
title: electrospray ionisation quadrupole detection (ESI Q Trap) (dimethyl 2-bromobenzene-1,3-dicarboxylate)
title: InChI=1S/C10H9BrO4/c1-14-9(12)6-4-3-5-7(8(6)11)10(13)15-2/h3-5H,1-2H3

description: dataset for electrospray ionisation quadrupole detection (ESI Q Trap)
DOI: 10.15468/dl.6eyxs9
title: Occurrence Download

description: A dataset containing 16038 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Geometry POLYGON((2.15422 42.2918,2.17813 42.2918,2.17813 42.31141,2.15422 42.31141,2.15422 42.2918))",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "OccurrenceStatus is Present"
 ]
}

 The dataset includes 16038 records from 33 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0007076-250914085247600/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.14272/zdtimzroniokrh-uhfffaoysa-n.1
title: dimethyl 5-bromo-2-iodobenzene-1,3-dicarboxylate
title: InChI=1S/C10H8BrIO4/c1-15-9(13)6-3-5(11)4-7(8(6)12)10(14)16-2/h3-4H,1-2H3

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/C10H8BrIO4/c1-15-9(13)6-3-5(11)4-7(8(6)12)10(14)16-2/h3-4H,1-2H3, and canonical SMILES descriptor[cheminf_000007]: COC(=O)c1cc(Br)cc(c1I)C(=O)OC, and by the IUPAC name[cheminf_000107]: dimethyl 5-bromo-2-iodobenzene-1,3-dicarboxylate.
 
 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-34502

 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
 Melting point descriptor[CHEMINF_000256]: 100.0 (°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:0000630 | infrared absorption spectroscopy (IR)
 
 CHMO:0002337 | electrospray ionisation quadrupole detection (ESI Q Trap)
 
 CHMO:0001150 | 1H--1H correlation spectroscopy (1H-1H COSY)
 
 CHMO:0001148 | 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
 
 CHMO:0001146 | 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
 
 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/zdtimzroniokrh-uhfffaoysa-n/chmo0001150
title: 1H--1H correlation spectroscopy (1H-1H COSY) (dimethyl 5-bromo-2-iodobenzene-1,3-dicarboxylate)
title: InChI=1S/C10H8BrIO4/c1-15-9(13)6-3-5(11)4-7(8(6)12)10(14)16-2/h3-4H,1-2H3

description: dataset for 1H--1H correlation spectroscopy (1H-1H COSY)
DOI: 10.14272/zdtimzroniokrh-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (dimethyl 5-bromo-2-iodobenzene-1,3-dicarboxylate)
title: InChI=1S/C10H8BrIO4/c1-15-9(13)6-3-5(11)4-7(8(6)12)10(14)16-2/h3-4H,1-2H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)