cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.3535/nhp-18e-e74
title: Photedes fluxa Hübner, 1809

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/y0w-q3x-5fy
title: Cyaniris semiargus (von Rottemburg, 1775)

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/cgx-042-9cj
title: Pyrgus centaureae (Rambur, 1839)

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/l8p-69m-lws
title: Photedes captiuncula Treitschke, 1825

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/hc5-43x-wab
title: Cupido minimus Füssly, 1775

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/pyy-vt3-0s7
title: Orthosia (Cororthosia) opima Hübner

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/yax-4pj-hbb
title: Orthosia (Cororthosia) opima Hübner

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/fpk-2q3-c49
title: Charanyca (Rusina) Stephens, 1829

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/z69-n56-768
title: Photedes fluxa Hübner, 1809

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/26j-6er-1t2
title: Ochropleura plecta Linnaeus, 1761

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/z9m-hdf-0yb
title: Leucania (Leucania) obsoleta Hübner

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/nkr-3a5-fxf
title: Actebia (Actebia) fennica Tauscher, 1806

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/v7n-4sr-hk4
title: Parastichtis suspecta Hübner, 1809

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/k3r-dpf-0fg
title: Cucullia umbratica (Linnaeus, 1758)

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/lv7-m4b-rpw
title: Plusia putnami Grote, 1873

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/mp8-wpm-yj6
title: Cucullia umbratica (Linnaeus, 1758)

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/3b5-23s-nn5
title: Eupithecia linariata ([Denis & Schiffermüller], 1775)

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/esl-ajs-wvq
title: Carterocephalus palaemon (Pallas, 1771)

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/k9a-amb-vjf
title: Speyeria aglaja (Linnaeus, 1758)

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/8b4-5s7-9s8
title: Trachea atriplicis (Linnaeus, 1758)

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.3535/vv9-9gz-p1s
title: Cyaniris semiargus (von Rottemburg, 1775)

description: Digital Specimen for the physical specimen hosted at Finnish Museum of Natural History.
DOI: 10.15468/dl.tf6uyc
title: Occurrence Download

description: A dataset containing 878973 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Continent is Oceania",
 "Country is Papua New Guinea",
 "IucnRedListCategory is one of (CR, EW, EX, EN, VU, NT, LC, DD, NE)",
 "OccurrenceStatus is Present"
 ]
}

 The dataset includes 878973 records from 620 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0030363-251120083545085/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.14272/cfduzkrcbfsqah-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C30H24N2/c1-2-6-28-25(5-1)20-27(29-7-3-4-18-31-29)30(32-28)26-19-23-13-12-21-8-10-22(11-9-21)14-16-24(26)17-15-23/h1-11,15,17-20H,12-14,16H2

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/cfduzkrcbfsqah-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C30H24N2/c1-2-6-28-25(5-1)20-27(29-7-3-4-18-31-29)30(32-28)26-19-23-13-12-21-8-10-22(11-9-21)14-16-24(26)17-15-23/h1-11,15,17-20H,12-14,16H2

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/cfduzkrcbfsqah-uhfffaoysa-n/chmo0000596
title: distortionless enhancement with polarization transfer (DEPT) ()
title: InChI=1S/C30H24N2/c1-2-6-28-25(5-1)20-27(29-7-3-4-18-31-29)30(32-28)26-19-23-13-12-21-8-10-22(11-9-21)14-16-24(26)17-15-23/h1-11,15,17-20H,12-14,16H2

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/cfduzkrcbfsqah-uhfffaoysa-n/chmo0000604
title: heteronuclear single quantum coherence (HSQC) ()
title: InChI=1S/C30H24N2/c1-2-6-28-25(5-1)20-27(29-7-3-4-18-31-29)30(32-28)26-19-23-13-12-21-8-10-22(11-9-21)14-16-24(26)17-15-23/h1-11,15,17-20H,12-14,16H2

description: dataset for heteronuclear single quantum coherence (HSQC)
DOI: 10.14272/cfduzkrcbfsqah-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C30H24N2/c1-2-6-28-25(5-1)20-27(29-7-3-4-18-31-29)30(32-28)26-19-23-13-12-21-8-10-22(11-9-21)14-16-24(26)17-15-23/h1-11,15,17-20H,12-14,16H2

description: dataset for infrared absorption spectroscopy (IR)
DOI: 10.14272/cfduzkrcbfsqah-uhfffaoysa-n.1
title: (rac)-2-(1,4(1,4)-dibenzenacyclohexaphane-12-yl)-3-(pyridin-2-yl)quinoline
title: InChI=1S/C30H24N2/c1-2-6-28-25(5-1)20-27(29-7-3-4-18-31-29)30(32-28)26-19-23-13-12-21-8-10-22(11-9-21)14-16-24(26)17-15-23/h1-11,15,17-20H,12-14,16H2

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/C30H24N2/c1-2-6-28-25(5-1)20-27(29-7-3-4-18-31-29)30(32-28)26-19-23-13-12-21-8-10-22(11-9-21)14-16-24(26)17-15-23/h1-11,15,17-20H,12-14,16H2, and canonical SMILES descriptor[cheminf_000007]: c1ccc(nc1)c1cc2ccccc2nc1c1cc2CCc3ccc(CCc1cc2)cc3, 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-39965

 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
 Melting point descriptor[CHEMINF_000256]: 109.5 - 114.5 (°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:0000630 | infrared absorption spectroscopy (IR)
 
 CHMO:0000563 | fast-atom bombardment mass spectrometry (FABMS)
 
 CHMO:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR)
 
 CHMO:0000596 | distortionless enhancement with polarization transfer (DEPT)
 
 CHMO:0000596 | distortionless enhancement with polarization transfer (DEPT)
 
 CHMO:0000599 | correlation spectroscopy (COSY)
 
 CHMO:0000604 | heteronuclear single quantum coherence (HSQC)
 
 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/cfduzkrcbfsqah-uhfffaoysa-n/chmo0000563
title: fast-atom bombardment mass spectrometry (FABMS) ()
title: InChI=1S/C30H24N2/c1-2-6-28-25(5-1)20-27(29-7-3-4-18-31-29)30(32-28)26-19-23-13-12-21-8-10-22(11-9-21)14-16-24(26)17-15-23/h1-11,15,17-20H,12-14,16H2

description: dataset for fast-atom bombardment mass spectrometry (FABMS)
DOI: 10.14272/rhbcaegkxsbzsz-uhfffaoysa-n/chmo0000563
title: fast-atom bombardment mass spectrometry (FABMS) ()
title: InChI=1S/C31H24BrN/c32-27-17-15-25(16-18-27)29-20-26-3-1-2-4-30(26)33-31(29)28-19-23-10-9-21-5-7-22(8-6-21)11-13-24(28)14-12-23/h1-8,12,14-20H,9-11,13H2

description: dataset for fast-atom bombardment mass spectrometry (FABMS)
DOI: 10.14272/rhbcaegkxsbzsz-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C31H24BrN/c32-27-17-15-25(16-18-27)29-20-26-3-1-2-4-30(26)33-31(29)28-19-23-10-9-21-5-7-22(8-6-21)11-13-24(28)14-12-23/h1-8,12,14-20H,9-11,13H2

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/rhbcaegkxsbzsz-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C31H24BrN/c32-27-17-15-25(16-18-27)29-20-26-3-1-2-4-30(26)33-31(29)28-19-23-10-9-21-5-7-22(8-6-21)11-13-24(28)14-12-23/h1-8,12,14-20H,9-11,13H2

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/rhbcaegkxsbzsz-uhfffaoysa-n/chmo0000599
title: correlation spectroscopy (COSY) ()
title: InChI=1S/C31H24BrN/c32-27-17-15-25(16-18-27)29-20-26-3-1-2-4-30(26)33-31(29)28-19-23-10-9-21-5-7-22(8-6-21)11-13-24(28)14-12-23/h1-8,12,14-20H,9-11,13H2

description: dataset for correlation spectroscopy (COSY)
DOI: 10.14272/rhbcaegkxsbzsz-uhfffaoysa-n/chmo0000604
title: heteronuclear single quantum coherence (HSQC) ()
title: InChI=1S/C31H24BrN/c32-27-17-15-25(16-18-27)29-20-26-3-1-2-4-30(26)33-31(29)28-19-23-10-9-21-5-7-22(8-6-21)11-13-24(28)14-12-23/h1-8,12,14-20H,9-11,13H2

description: dataset for heteronuclear single quantum coherence (HSQC)
DOI: 10.14272/rhbcaegkxsbzsz-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C31H24BrN/c32-27-17-15-25(16-18-27)29-20-26-3-1-2-4-30(26)33-31(29)28-19-23-10-9-21-5-7-22(8-6-21)11-13-24(28)14-12-23/h1-8,12,14-20H,9-11,13H2

description: dataset for infrared absorption spectroscopy (IR)
DOI: 10.14272/rhbcaegkxsbzsz-uhfffaoysa-n.1
title: (rac)-2-(1,4(1,4)-dibenzenacyclohexaphane-12-yl)-3-(4-bromophenyl)quinoline
title: InChI=1S/C31H24BrN/c32-27-17-15-25(16-18-27)29-20-26-3-1-2-4-30(26)33-31(29)28-19-23-10-9-21-5-7-22(8-6-21)11-13-24(28)14-12-23/h1-8,12,14-20H,9-11,13H2

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/C31H24BrN/c32-27-17-15-25(16-18-27)29-20-26-3-1-2-4-30(26)33-31(29)28-19-23-10-9-21-5-7-22(8-6-21)11-13-24(28)14-12-23/h1-8,12,14-20H,9-11,13H2, and canonical SMILES descriptor[cheminf_000007]: Brc1ccc(cc1)c1cc2ccccc2nc1c1cc2ccc1CCc1ccc(CC2)cc1, 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-39691

 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
 Melting point descriptor[CHEMINF_000256]: 91.4 - 96.6 (°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:0000599 | correlation spectroscopy (COSY)
 
 CHMO:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR)
 
 CHMO:0000630 | infrared absorption spectroscopy (IR)
 
 CHMO:0000596 | distortionless enhancement with polarization transfer (DEPT)
 
 CHMO:0000596 | distortionless enhancement with polarization transfer (DEPT)
 
 CHMO:0000604 | heteronuclear single quantum coherence (HSQC)
 
 CHMO:0000563 | fast-atom bombardment mass spectrometry (FABMS)
 
 CHMO:0000593 | 1H nuclear magnetic resonance spectroscopy (1H 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/rhbcaegkxsbzsz-uhfffaoysa-n/chmo0000596
title: distortionless enhancement with polarization transfer (DEPT) ()
title: InChI=1S/C31H24BrN/c32-27-17-15-25(16-18-27)29-20-26-3-1-2-4-30(26)33-31(29)28-19-23-10-9-21-5-7-22(8-6-21)11-13-24(28)14-12-23/h1-8,12,14-20H,9-11,13H2

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/rhbcaegkxsbzsz-uhfffaoysa-n/chmo0000596.1
title: distortionless enhancement with polarization transfer (DEPT) ()
title: InChI=1S/C31H24BrN/c32-27-17-15-25(16-18-27)29-20-26-3-1-2-4-30(26)33-31(29)28-19-23-10-9-21-5-7-22(8-6-21)11-13-24(28)14-12-23/h1-8,12,14-20H,9-11,13H2

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.1594/pangaea.959104
title: Processed CT image of sediment core GeoB22336-4 from northern Baffin Bay, Maria S. Merian cruise MSM66

description: Processed CT data of sediment core GeoB22336-4, performed using the ZIB edition of the Amira software (version 2021.08; Stalling et al., 2005), including CT image and interpretation of core sections, volume and percentage of matrix sediment, bioturbation and ice-rafted detritus, number of ice-rafted detritus clasts, number of ice-rafted detritus per cubic centimeter, and the mean, minimum and maximum of x-ray attenuation of matrix sediment.
description: Archive halves of core scanned at hospital Klinikum Bremen-Mitte, Bremen, Germany
DOI: 10.1594/pangaea.961797
title: Bulk mineral assemblage of sediment core GeoB22336-4, MARIA S. MERIAN cruise MSM66

description: This dataset includes mineral assemblages of gravity core GeoB22336-4 retrieved from northern Baffin Bay during cruise MSM66 in 2017. The XRD data were obtained on pulverized and homogenized sediment samples every 20 cm at the laboratory of the Crystallography & Geomaterials Research Group (Faculty of Geosciences, University of Bremen). Measurement was carried out in a continuous scan from 3 – 65° 2θ, with a calculated step size of 0.016° using a Bruker D8 Discover diffractometer equipped with a Cu-tube, a fixed divergence slit of ¼°, and a monochromator (via Linxeye detector system). The Philips X'Pert software was used for mineral identification and the mineral assemblages of the bulk sediment were quantified with the QUAX full pattern quantitative determination software (see Vogt et al., 2002; https://doi.org/10.1346/000986002760833765). The identification and quantification of the mineral content of deglacial and Holocene sediments in core GeoB22336-4 was useful in the reconstruction of sediment provenance, input and transport pattern of detrital materials to the core site in northern Baffin Bay, as well as surrounding ice-sheet dynamics.
DOI: 10.1594/pangaea.962585
title: Grain-size distribution of sediment core GeoB22336-4, MARIA S. MERIAN cruise MSM66

description: Grain-size distribution of sediment core GeoB22336-4 from off Lancaster Sound. In order to access sediment dynamics in northern Baffin Bay since the last deglaciation, grain size measurements were performed every 10 cm on core GeoB22336-4 using the Beckman Coulter Laser Diffraction Particle Size Analyzer LS 13320 at the Particle-Size Laboratory at MARUM – Center for Marine Environmental Sciences, University of Bremen. Prior to measurement, the bulk sediment samples were first treated to remove the organic components and then disintegrated following the method outlined by McGregor et al., 2009 (https://doi.org/10.1016/j.quascirev.2009.02.012).
DOI: 10.1594/pangaea.963556
title: Detrital radiogenic isotope records of Sr and Nd from sediment cores MSM44_353-3 (GeoB19927-3) and MSM44_372-4 (GeoB19946-4), Northeastern Baffin Bay

description: This dataset includes downcore radiogenic isotope records of Sr and Nd of the siliciclastic detrital sediment fraction of samples from gravity cores MSM44_353-3 (GeoB19927-3) and MSM44_372-4 (GeoB19946-4), collected during cruise MSM44 in the eastern Baffin Bay in summer 2015. The Sr and Nd isotope ratios were measured with the purpose of reconstructing past provenances of the sedimentary material delivered onto the West Greenland shelf. Sample preparation and measurements of radiogenic isotope ratios were performed in the Isotope Geochemistry Laboratory at MARUM—Centre for Marine Environmental Sciences, University of Bremen, Germany. All samples were washed, decarbonised and separated from possible iron-manganese coatings following a procedure by Gutjahr et al. (2007). Sr and Nd were extracted through column separation using TrisKem Sr.specTM resin (method modified after Deniel & Pin, 2001), and TRU.specTM resin and LN.specTM (method by Pin et al., 1994), respectively. Isotopic ratios were analysed with a Thermo Fisher Scientific TritonTM Plus multicollector thermal ionization mass spectrometer (TIMS). The 143Nd/144Nd ratio is reported in the εNd notation relative to the Chondritic Uniform Reservoir (CHUR) value (143Nd/144Nd = 0.512638; Jacobsen and Wasserburg, 1980).
DOI: 10.1594/pangaea.961740
title: Age model of sediment core GeoB22336-4 obtained on MARIA S. MERIAN cruise MSM66

description: The age model for sediment core GeoB22336-4 from northern Baffin Bay was constructed using UNDATABLE (https://doi.org/10.1029/2018PA003457) and is based on 13 AMS radiocarbon dates measured on mixed planktic and benthic, and ostracods. The AMS dates were calibrated within UNDATABLE using Marine20 calibration curve and applying marine reservoir age correction (ΔR) of 81 ± 18 years to mid and late-Holocene ages and ΔR of 411 to 96 years to deglacial and early Holocene dates. Additionally, linear extrapolation was used to extend the age model to the top and bottom of the core. See the related paper (https://doi.org/10.1016/j.quascirev.2023.108101) for more details on age calibration.
DOI: 10.14272/ndqhdqlfnywsjt-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C33H28FN/c1-21-17-22(2)29-20-31(27-13-15-28(34)16-14-27)33(35-32(29)18-21)30-19-25-8-7-23-3-5-24(6-4-23)9-11-26(30)12-10-25/h3-6,10,12-20H,7-9,11H2,1-2H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/ndqhdqlfnywsjt-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C33H28FN/c1-21-17-22(2)29-20-31(27-13-15-28(34)16-14-27)33(35-32(29)18-21)30-19-25-8-7-23-3-5-24(6-4-23)9-11-26(30)12-10-25/h3-6,10,12-20H,7-9,11H2,1-2H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/ndqhdqlfnywsjt-uhfffaoysa-n/chmo0000596
title: distortionless enhancement with polarization transfer (DEPT) ()
title: InChI=1S/C33H28FN/c1-21-17-22(2)29-20-31(27-13-15-28(34)16-14-27)33(35-32(29)18-21)30-19-25-8-7-23-3-5-24(6-4-23)9-11-26(30)12-10-25/h3-6,10,12-20H,7-9,11H2,1-2H3

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/ndqhdqlfnywsjt-uhfffaoysa-n/chmo0000596.1
title: distortionless enhancement with polarization transfer (DEPT) ()
title: InChI=1S/C33H28FN/c1-21-17-22(2)29-20-31(27-13-15-28(34)16-14-27)33(35-32(29)18-21)30-19-25-8-7-23-3-5-24(6-4-23)9-11-26(30)12-10-25/h3-6,10,12-20H,7-9,11H2,1-2H3

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/ndqhdqlfnywsjt-uhfffaoysa-n/chmo0000604
title: heteronuclear single quantum coherence (HSQC) ()
title: InChI=1S/C33H28FN/c1-21-17-22(2)29-20-31(27-13-15-28(34)16-14-27)33(35-32(29)18-21)30-19-25-8-7-23-3-5-24(6-4-23)9-11-26(30)12-10-25/h3-6,10,12-20H,7-9,11H2,1-2H3

description: dataset for heteronuclear single quantum coherence (HSQC)
DOI: 10.14272/ndqhdqlfnywsjt-uhfffaoysa-n.1
title: (rac)-2-(1,4(1,4)-dibenzenacyclohexaphane-12-yl)-3-(4-fluorophenyl)-5,7-dimethylquinoline
title: InChI=1S/C33H28FN/c1-21-17-22(2)29-20-31(27-13-15-28(34)16-14-27)33(35-32(29)18-21)30-19-25-8-7-23-3-5-24(6-4-23)9-11-26(30)12-10-25/h3-6,10,12-20H,7-9,11H2,1-2H3

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/C33H28FN/c1-21-17-22(2)29-20-31(27-13-15-28(34)16-14-27)33(35-32(29)18-21)30-19-25-8-7-23-3-5-24(6-4-23)9-11-26(30)12-10-25/h3-6,10,12-20H,7-9,11H2,1-2H3, and canonical SMILES descriptor[cheminf_000007]: Fc1ccc(cc1)c1cc2c(C)cc(cc2nc1c1cc2CCc3ccc(CCc1cc2)cc3)C, 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-40342

 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
 Melting point descriptor[CHEMINF_000256]: 236.8 - 239.9 (°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:0000596 | distortionless enhancement with polarization transfer (DEPT)
 
 CHMO:0000596 | distortionless enhancement with polarization transfer (DEPT)
 
 CHMO:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR)
 
 CHMO:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR)
 
 CHMO:0000604 | heteronuclear single quantum coherence (HSQC)
 
 CHMO:0000597 | 19F nuclear magnetic resonance spectroscopy (19F NMR)
 
 CHMO:0000599 | correlation spectroscopy (COSY)
 
 CHMO:0000563 | fast-atom bombardment mass spectrometry (FABMS)
 
 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/ndqhdqlfnywsjt-uhfffaoysa-n/chmo0000563
title: fast-atom bombardment mass spectrometry (FABMS) ()
title: InChI=1S/C33H28FN/c1-21-17-22(2)29-20-31(27-13-15-28(34)16-14-27)33(35-32(29)18-21)30-19-25-8-7-23-3-5-24(6-4-23)9-11-26(30)12-10-25/h3-6,10,12-20H,7-9,11H2,1-2H3

description: dataset for fast-atom bombardment mass spectrometry (FABMS)
DOI: 10.14272/ndqhdqlfnywsjt-uhfffaoysa-n/chmo0000597
title: 19F nuclear magnetic resonance spectroscopy (19F NMR) ()
title: InChI=1S/C33H28FN/c1-21-17-22(2)29-20-31(27-13-15-28(34)16-14-27)33(35-32(29)18-21)30-19-25-8-7-23-3-5-24(6-4-23)9-11-26(30)12-10-25/h3-6,10,12-20H,7-9,11H2,1-2H3

description: dataset for 19F nuclear magnetic resonance spectroscopy (19F NMR)