cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.14272/gjbrnhkuvloceb-uhfffaoysa-n.1
title: tert-butyl benzenecarboperoxoate
title: InChI=1S/C11H14O3/c1-11(2,3)14-13-10(12)9-7-5-4-6-8-9/h4-8H,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/C11H14O3/c1-11(2,3)14-13-10(12)9-7-5-4-6-8-9/h4-8H,1-3H3, and canonical SMILES descriptor[cheminf_000007]: O=C(c1ccccc1)OOC(C)(C)C, and by the IUPAC name[cheminf_000107]: tert-butyl benzenecarboperoxoate. 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-37177 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:0000599 | correlation spectroscopy (COSY) 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:0000601 | heteronuclear multiple bond coherence (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/gjbrnhkuvloceb-uhfffaoysa-n/chmo0000601
title: heteronuclear multiple bond coherence (HMBC) (tert-butyl benzenecarboperoxoate)
title: InChI=1S/C11H14O3/c1-11(2,3)14-13-10(12)9-7-5-4-6-8-9/h4-8H,1-3H3

description: dataset for heteronuclear multiple bond coherence (HMBC)
DOI: 10.14272/gjbrnhkuvloceb-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (tert-butyl benzenecarboperoxoate)
title: InChI=1S/C11H14O3/c1-11(2,3)14-13-10(12)9-7-5-4-6-8-9/h4-8H,1-3H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, Chloroform-d [7.26 ppm], ppm) δ = 7.97–7.94 (m, 2H), 7.61–7.56 (m, 1H), 7.48–7.44 (m, 2H), 1.42 (s, 9H).
DOI: 10.14272/gjbrnhkuvloceb-uhfffaoysa-n/chmo0000596
title: distortionless enhancement with polarization transfer (DEPT) (tert-butyl benzenecarboperoxoate)
title: InChI=1S/C11H14O3/c1-11(2,3)14-13-10(12)9-7-5-4-6-8-9/h4-8H,1-3H3

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/gjbrnhkuvloceb-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (tert-butyl benzenecarboperoxoate)
title: InChI=1S/C11H14O3/c1-11(2,3)14-13-10(12)9-7-5-4-6-8-9/h4-8H,1-3H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (100 MHz, Chloroform-d [77.2 ppm], ppm) δ = 164.5 (Cq), 133.5 (CH), 129.3 (2C, CH), 128.8 (2C, CH), 127.9 (Cq), 84.1 (Cq), 26.4 (3C, CH3).
DOI: 10.14272/gjbrnhkuvloceb-uhfffaoysa-n/chmo0000596.1
title: distortionless enhancement with polarization transfer (DEPT) (tert-butyl benzenecarboperoxoate)
title: InChI=1S/C11H14O3/c1-11(2,3)14-13-10(12)9-7-5-4-6-8-9/h4-8H,1-3H3

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/gjbrnhkuvloceb-uhfffaoysa-n/chmo0000599
title: correlation spectroscopy (COSY) (tert-butyl benzenecarboperoxoate)
title: InChI=1S/C11H14O3/c1-11(2,3)14-13-10(12)9-7-5-4-6-8-9/h4-8H,1-3H3

description: dataset for correlation spectroscopy (COSY)
DOI: 10.14272/gjbrnhkuvloceb-uhfffaoysa-n/chmo0000604
title: heteronuclear single quantum coherence (HSQC) (tert-butyl benzenecarboperoxoate)
title: InChI=1S/C11H14O3/c1-11(2,3)14-13-10(12)9-7-5-4-6-8-9/h4-8H,1-3H3

description: dataset for heteronuclear single quantum coherence (HSQC)
DOI: 10.57967/hf/1415
title: ioi
DOI: 10.57967/hf/0142
title: ioi
DOI: 10.5281/zenodo.10228863
title: Active and passive surface-wave recordings along high-speed lines

description: Seismic uniform linear arrays (ULAs) with a length of 23.75 m and composed by 96 geophones spaced at intervals of 25 cm were installed in 3 different sites (sites 1, 2 and 3). The ULAs were positioned on the cess (i.e. the track side) along the railway, at approximately 2 m from the rails, on track 1 for site 1 and track 2 for sites 2 and 3. Active seismic data was acquired by vertically striking a metal plate placed in-line, 12.5 cm away from the first (direct shot) and last (inverse shot) geophones.The impact was achieved with a hammer (1.5 kg) and waves propagation along the ULA was recorded for 2 s with a sampling interval of 0.5 ms (i.e. sampling rate of 2 kHz) and a pre-triggering delay of -0.02 s. Six direct and inverse shots were stacked in the time domain to enhance signal-to-noise ratio.HST passages on tracks 1 and 2 were also recorded with the exact same ULAs for durations of 120 s with a sampling interval of 2 ms (i.e. sampling rate of 500 Hz). The recordings were initiated manually upon visual confirmation of approaching trains at the site.
DOI: 10.5281/zenodo.10228864
title: Active and passive surface-wave recordings along high-speed lines

description: Seismic uniform linear arrays (ULAs) with a length of 23.75 m and composed by 96 geophones spaced at intervals of 25 cm were installed in 3 different sites (sites 1, 2 and 3). The ULAs were positioned on the cess (i.e. the track side) along the railway, at approximately 2 m from the rails, on track 1 for site 1 and track 2 for sites 2 and 3. Active seismic data was acquired by vertically striking a metal plate placed in-line, 12.5 cm away from the first (direct shot) and last (inverse shot) geophones.The impact was achieved with a hammer (1.5 kg) and waves propagation along the ULA was recorded for 2 s with a sampling interval of 0.5 ms (i.e. sampling rate of 2 kHz) and a pre-triggering delay of -0.02 s. Six direct and inverse shots were stacked in the time domain to enhance signal-to-noise ratio.HST passages on tracks 1 and 2 were also recorded with the exact same ULAs for durations of 120 s with a sampling interval of 2 ms (i.e. sampling rate of 500 Hz). The recordings were initiated manually upon visual confirmation of approaching trains at the site.
DOI: 10.5281/zenodo.10245089
title: Active and passive surface-wave recordings along high-speed lines

description: Seismic uniform linear arrays (ULAs) with a length of 23.75 m and composed by 96 geophones spaced at intervals of 25 cm were installed in 3 different sites (sites 1, 2 and 3). The ULAs were positioned on the cess (i.e. the track side) along the railway, at approximately 2 m from the rails, on track 1 for site 1 and track 2 for sites 2 and 3. Active seismic data was acquired by vertically striking a metal plate placed in-line, 12.5 cm away from the first (direct shot) and last (inverse shot) geophones.The impact was achieved with a hammer (1.5 kg) and waves propagation along the ULA was recorded for 2 s with a sampling interval of 0.5 ms (i.e. sampling rate of 2 kHz) and a pre-triggering delay of -0.02 s. Six direct and inverse shots were stacked in the time domain to enhance signal-to-noise ratio.HST passages on tracks 1 and 2 were also recorded with the exact same ULAs for durations of 120 s with a sampling interval of 2 ms (i.e. sampling rate of 500 Hz). The recordings were initiated manually upon visual confirmation of approaching trains at the site.
DOI: 10.57745/j46lhu
title: L.tab

description: Taxonomic composition of sites. 4 pcr runs. MOTU are grouped into 1047 distinct taxas. 10 sites were randomly replicate for sampling to test intrasite variability (site_bis)
DOI: 10.57745/ytyc7h
title: R.tab

description: Site description. site: Identification of site to match with L.tab. x,y: coordinates of the site (in WGS84,epsg=4326) Exposition: Orientation of the slope (in degrees) Slope: inclination of the site (in degrees) Elevation: expressed in metres. Dist.edge: distance to the nearest forest edge (log1p), calculated ad hoc from BD_Foret V2 IGN, 2022. G: total basal area( in m²/ha) Dg: mean square diameter of living trees (in m) Div.tree: Shannon diversity index of the trees. V.CWD: volume of coarse woody debris on the ground (in m3/ha) VCWD.WD : volume of well decayed woody debris on the ground(in m3/ha) VSWD : volume of small woody debris on the ground (in m3/ha) pH: soil pH water. N: total soil nitrogen content (g/kg). P: Available phosphorus content (g/kg,Duchauffour method) C.N: C/N ratio. OM : total organic carbon (g/kg) Gc : basal area of harvested trees (in m²/ha) Dgc: mean square diameter of harvested trees (in m). For.cont: Type of forest. FA= ancient forest, FR= recent forest.
DOI: 10.57745/zmype5
title: Fung02_report_Anaee_LESSEM-Mollier_Fung02.html

description: Analysis report with all raw data.
DOI: 10.57745/9aerbz
title: samples_id.tab

description: Correspondance between site names in R.tab and sample names in the analysis report.
DOI: 10.57745/bi5bc8
title: read_me.txt

description: Fields description of R.tab
DOI: 10.14272/ibxncjkffqikky-uhfffaoysa-n.1
title: pent-1-yne
title: InChI=1S/C5H8/c1-3-5-4-2/h1H,4-5H2,2H3

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/C5H8/c1-3-5-4-2/h1H,4-5H2,2H3, and canonical SMILES descriptor[cheminf_000007]: CCCC#C, and by the IUPAC name[cheminf_000107]: pent-1-yne. 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-37169 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:0000604 | heteronuclear single quantum coherence (HSQC) CHMO:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR) CHMO:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR) CHMO:0000601 | heteronuclear multiple bond coherence (HMBC) CHMO:0000599 | correlation spectroscopy (COSY) CHMO:0000596 | distortionless enhancement with polarization transfer (DEPT) 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/ibxncjkffqikky-uhfffaoysa-n/chmo0000599
title: correlation spectroscopy (COSY) (pent-1-yne)
title: InChI=1S/C5H8/c1-3-5-4-2/h1H,4-5H2,2H3

description: dataset for correlation spectroscopy (COSY)
DOI: 10.14272/ibxncjkffqikky-uhfffaoysa-n/chmo0000596.1
title: distortionless enhancement with polarization transfer (DEPT) (pent-1-yne)
title: InChI=1S/C5H8/c1-3-5-4-2/h1H,4-5H2,2H3

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/ibxncjkffqikky-uhfffaoysa-n/chmo0000604
title: heteronuclear single quantum coherence (HSQC) (pent-1-yne)
title: InChI=1S/C5H8/c1-3-5-4-2/h1H,4-5H2,2H3

description: dataset for heteronuclear single quantum coherence (HSQC)
DOI: 10.14272/ibxncjkffqikky-uhfffaoysa-n/chmo0000596
title: distortionless enhancement with polarization transfer (DEPT) (pent-1-yne)
title: InChI=1S/C5H8/c1-3-5-4-2/h1H,4-5H2,2H3

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/ibxncjkffqikky-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (pent-1-yne)
title: InChI=1S/C5H8/c1-3-5-4-2/h1H,4-5H2,2H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, Chloroform-d [7.26 ppm], ppm) δ = 2.15 (td, J = 7.0 Hz, J = 2.6 Hz, 2H), 1.93 (t, J = 2.6 Hz, 1H), 1.54 (h, J = 7.3 Hz, 2H), 0.99 (t, J = 7.3 Hz, 3H).
DOI: 10.14272/ibxncjkffqikky-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (pent-1-yne)
title: InChI=1S/C5H8/c1-3-5-4-2/h1H,4-5H2,2H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (100 MHz, Chloroform-d [77.2 ppm], ppm) δ = 84.7 (CH), 68.3 (CH), 22.1 (CH2), 20.5 (CH2), 13.5 (CH3).
DOI: 10.14272/ibxncjkffqikky-uhfffaoysa-n/chmo0000601
title: heteronuclear multiple bond coherence (HMBC) (pent-1-yne)
title: InChI=1S/C5H8/c1-3-5-4-2/h1H,4-5H2,2H3

description: dataset for heteronuclear multiple bond coherence (HMBC)
DOI: 10.34740/kaggle/dsv/4587485
title: Medicinal Plant Leaf Image Preprocessed Dataset
DOI: 10.14272/yptjkhvbdcrknf-uhfffaoysa-n.1
title: 1-(2,6-dihydroxyphenyl)ethanone
title: InChI=1S/C8H8O3/c1-5(9)8-6(10)3-2-4-7(8)11/h2-4,10-11H,1H3

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/C8H8O3/c1-5(9)8-6(10)3-2-4-7(8)11/h2-4,10-11H,1H3, and canonical SMILES descriptor[cheminf_000007]: CC(=O)c1c(O)cccc1O, and by the IUPAC name[cheminf_000107]: 1-(2,6-dihydroxyphenyl)ethanone. 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-37161 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:0000596 | distortionless enhancement with polarization transfer (DEPT) CHMO:0000599 | correlation spectroscopy (COSY) CHMO:0000604 | heteronuclear single quantum coherence (HSQC) CHMO:0000601 | heteronuclear multiple bond coherence (HMBC) 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/yptjkhvbdcrknf-uhfffaoysa-n/chmo0000596.1
title: distortionless enhancement with polarization transfer (DEPT) (1-(2,6-dihydroxyphenyl)ethanone)
title: InChI=1S/C8H8O3/c1-5(9)8-6(10)3-2-4-7(8)11/h2-4,10-11H,1H3

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/yptjkhvbdcrknf-uhfffaoysa-n/chmo0000596
title: distortionless enhancement with polarization transfer (DEPT) (1-(2,6-dihydroxyphenyl)ethanone)
title: InChI=1S/C8H8O3/c1-5(9)8-6(10)3-2-4-7(8)11/h2-4,10-11H,1H3

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/yptjkhvbdcrknf-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (1-(2,6-dihydroxyphenyl)ethanone)
title: InChI=1S/C8H8O3/c1-5(9)8-6(10)3-2-4-7(8)11/h2-4,10-11H,1H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (100 MHz, DMSO-d6 [39.5 ppm], ppm) δ = 205.0 (Cq), 161.6 (2C, Cq), 136.0 (CH), 110.5 (Cq), 107.1 (2C, CH), 33.2 (CH3).
DOI: 10.14272/yptjkhvbdcrknf-uhfffaoysa-n/chmo0000601
title: heteronuclear multiple bond coherence (HMBC) (1-(2,6-dihydroxyphenyl)ethanone)
title: InChI=1S/C8H8O3/c1-5(9)8-6(10)3-2-4-7(8)11/h2-4,10-11H,1H3

description: dataset for heteronuclear multiple bond coherence (HMBC)
DOI: 10.14272/yptjkhvbdcrknf-uhfffaoysa-n/chmo0000599
title: correlation spectroscopy (COSY) (1-(2,6-dihydroxyphenyl)ethanone)
title: InChI=1S/C8H8O3/c1-5(9)8-6(10)3-2-4-7(8)11/h2-4,10-11H,1H3

description: dataset for correlation spectroscopy (COSY)
DOI: 10.14272/yptjkhvbdcrknf-uhfffaoysa-n/chmo0000604
title: heteronuclear single quantum coherence (HSQC) (1-(2,6-dihydroxyphenyl)ethanone)
title: InChI=1S/C8H8O3/c1-5(9)8-6(10)3-2-4-7(8)11/h2-4,10-11H,1H3

description: dataset for heteronuclear single quantum coherence (HSQC)
DOI: 10.14272/yptjkhvbdcrknf-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (1-(2,6-dihydroxyphenyl)ethanone)
title: InChI=1S/C8H8O3/c1-5(9)8-6(10)3-2-4-7(8)11/h2-4,10-11H,1H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, DMSO-d6 [2.50 ppm], ppm) δ = 11.78 (s, 2H), 7.24 (t, J = 8.2 Hz, 1H), 6.37 (d, J = 8.2 Hz, 2H), 2.63 (s, 3H).
DOI: 10.17632/xfdjyd24hb.2
title: Dataset on DNA methylation and gene expression changes induced by 5-aza-2′-deoxycytidine in Syrian hamster fetal cell cultures.

description: This dataset informs on the regulation of gene expression by DNA methylation which is useful in finding genetic loci regulated by DNA methylation, and that may assist in the development of DNA methylation-based in vitro assay for the identification of carcinogens.
DOI: 10.17632/xfdjyd24hb.1
title: Dataset on DNA methylation and gene expression changes induced by 5-aza-2′-deoxycytidine in Syrian hamster fetal cell cultures.

description: This dataset informs on the regulation of gene expression by DNA methylation which is useful in finding genetic loci regulated by DNA methylation, and that may assist in the development of DNA methylation-based in vitro assay for the identification of carcinogens.
DOI: 10.14272/zytwxmbgoujdhj-uhfffaoysa-n.1
title: 2,6-bis(2-pyridyl)pyridine-4-carboxylic acid
title: InChI=1S/C16H11N3O2/c20-16(21)11-9-14(12-5-1-3-7-17-12)19-15(10-11)13-6-2-4-8-18-13/h1-10H,(H,20,21)

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/C16H11N3O2/c20-16(21)11-9-14(12-5-1-3-7-17-12)19-15(10-11)13-6-2-4-8-18-13/h1-10H,(H,20,21), and canonical SMILES descriptor[cheminf_000007]: OC(=O)c1cc(nc(c1)c1ccccn1)c1ccccn1, and by the IUPAC name[cheminf_000107]: 2,6-dipyridin-2-ylpyridine-4-carboxylic acid. 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-37153 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:0000596 | distortionless enhancement with polarization transfer (DEPT) CHMO:0000599 | correlation spectroscopy (COSY) CHMO:0000604 | heteronuclear single quantum coherence (HSQC) CHMO:0000601 | heteronuclear multiple bond coherence (HMBC) CHMO:0000596 | distortionless enhancement with polarization transfer (DEPT) 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/zytwxmbgoujdhj-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (2,6-dipyridin-2-ylpyridine-4-carboxylic acid)
title: InChI=1S/C16H11N3O2/c20-16(21)11-9-14(12-5-1-3-7-17-12)19-15(10-11)13-6-2-4-8-18-13/h1-10H,(H,20,21)

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (100 MHz, DMSO-d6 [39.5 ppm], ppm) δ = 166.1 (Cq), 156.0 (2C, Cq), 154.3 (2C, Cq), 149.4 (2C, CH), 140.8 (Cq), 137.5 (2C, CH), 124.7 (2C, CH), 120.8 (2C, CH), 119.6 (2C, CH).
DOI: 10.14272/zytwxmbgoujdhj-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (2,6-dipyridin-2-ylpyridine-4-carboxylic acid)
title: InChI=1S/C16H11N3O2/c20-16(21)11-9-14(12-5-1-3-7-17-12)19-15(10-11)13-6-2-4-8-18-13/h1-10H,(H,20,21)

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, DMSO-d6 [2.50 ppm], ppm) δ = 13.87 (s, 1H), 8.84 (s, 2H), 8.74 (ddd, J = 4.7 Hz, J = 1.7 Hz, J = 0.9 Hz, 2H), 8.61 (dt, J = 7.9 Hz, J = 1.0 Hz, 2H), 8.01 (td, J = 7.7 Hz, J = 1.8 Hz, 2H), 7.51 (ddd, J = 7.6 Hz, J = 4.8 Hz, J = 1.2 Hz, 2H).
DOI: 10.14272/zytwxmbgoujdhj-uhfffaoysa-n/chmo0000596
title: distortionless enhancement with polarization transfer (DEPT) (2,6-dipyridin-2-ylpyridine-4-carboxylic acid)
title: InChI=1S/C16H11N3O2/c20-16(21)11-9-14(12-5-1-3-7-17-12)19-15(10-11)13-6-2-4-8-18-13/h1-10H,(H,20,21)

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/zytwxmbgoujdhj-uhfffaoysa-n/chmo0000599
title: correlation spectroscopy (COSY) (2,6-dipyridin-2-ylpyridine-4-carboxylic acid)
title: InChI=1S/C16H11N3O2/c20-16(21)11-9-14(12-5-1-3-7-17-12)19-15(10-11)13-6-2-4-8-18-13/h1-10H,(H,20,21)

description: dataset for correlation spectroscopy (COSY)
DOI: 10.14272/zytwxmbgoujdhj-uhfffaoysa-n/chmo0000604
title: heteronuclear single quantum coherence (HSQC) (2,6-dipyridin-2-ylpyridine-4-carboxylic acid)
title: InChI=1S/C16H11N3O2/c20-16(21)11-9-14(12-5-1-3-7-17-12)19-15(10-11)13-6-2-4-8-18-13/h1-10H,(H,20,21)

description: dataset for heteronuclear single quantum coherence (HSQC)
DOI: 10.14272/zytwxmbgoujdhj-uhfffaoysa-n/chmo0000601
title: heteronuclear multiple bond coherence (HMBC) (2,6-dipyridin-2-ylpyridine-4-carboxylic acid)
title: InChI=1S/C16H11N3O2/c20-16(21)11-9-14(12-5-1-3-7-17-12)19-15(10-11)13-6-2-4-8-18-13/h1-10H,(H,20,21)

description: dataset for heteronuclear multiple bond coherence (HMBC)
DOI: 10.14272/zytwxmbgoujdhj-uhfffaoysa-n/chmo0000596.1
title: distortionless enhancement with polarization transfer (DEPT) (2,6-dipyridin-2-ylpyridine-4-carboxylic acid)
title: InChI=1S/C16H11N3O2/c20-16(21)11-9-14(12-5-1-3-7-17-12)19-15(10-11)13-6-2-4-8-18-13/h1-10H,(H,20,21)

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