cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.14272/xskannifuurlju-uhfffaoysa-n.1
title: ethyl 6-(cyclopropylmethoxy)-1H-indole-2-carboxylate
title: InChI=1S/C15H17NO3/c1-2-18-15(17)14-7-11-5-6-12(8-13(11)16-14)19-9-10-3-4-10/h5-8,10,16H,2-4,9H2,1H3

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/C15H17NO3/c1-2-18-15(17)14-7-11-5-6-12(8-13(11)16-14)19-9-10-3-4-10/h5-8,10,16H,2-4,9H2,1H3, and canonical SMILES descriptor[cheminf_000007]: CCOC(=O)c1cc2c([nH]1)cc(cc2)OCC1CC1, 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-34653 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]: Melting point descriptor[CHEMINF_000256]: 124.2 (°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:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR) CHMO:0000470 | mass spectrometry (MS) CHMO:0000596 | distortionless enhancement with polarization transfer (DEPT) 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) 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/xskannifuurlju-uhfffaoysa-n/chmo0000596.1
title: distortionless enhancement with polarization transfer (DEPT) ()
title: InChI=1S/C15H17NO3/c1-2-18-15(17)14-7-11-5-6-12(8-13(11)16-14)19-9-10-3-4-10/h5-8,10,16H,2-4,9H2,1H3

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/xskannifuurlju-uhfffaoysa-n/chmo0001146
title: 1H--13C heteronuclear single quantum coherence (1H-13C HSQC) ()
title: InChI=1S/C15H17NO3/c1-2-18-15(17)14-7-11-5-6-12(8-13(11)16-14)19-9-10-3-4-10/h5-8,10,16H,2-4,9H2,1H3

description: dataset for 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
DOI: 10.14272/xskannifuurlju-uhfffaoysa-n/chmo0001148
title: 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC) ()
title: InChI=1S/C15H17NO3/c1-2-18-15(17)14-7-11-5-6-12(8-13(11)16-14)19-9-10-3-4-10/h5-8,10,16H,2-4,9H2,1H3

description: dataset for 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
DOI: 10.14272/xskannifuurlju-uhfffaoysa-n/chmo0001150
title: 1H--1H correlation spectroscopy (1H-1H COSY) ()
title: InChI=1S/C15H17NO3/c1-2-18-15(17)14-7-11-5-6-12(8-13(11)16-14)19-9-10-3-4-10/h5-8,10,16H,2-4,9H2,1H3

description: dataset for 1H--1H correlation spectroscopy (1H-1H COSY)
DOI: 10.14272/undcynwwvctfes-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) (2-bromo-4-methyl-5-nitrophenol)
title: InChI=1S/C7H6BrNO3/c1-4-2-5(8)7(10)3-6(4)9(11)12/h2-3,10H,1H3

description: dataset for mass spectrometry (MS) MS (EI, 70 eV, 30 °C), m/z (%): 231 (16) [M]+, 181 (44), 131 (41), 119 (15), 100 (10), 69 (100).HRMS–EI (C7H6ON79Br) (m/z): [M]+ calcd 230.9526; found 230.9524.
DOI: 10.14272/undcynwwvctfes-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (2-bromo-4-methyl-5-nitrophenol)
title: InChI=1S/C7H6BrNO3/c1-4-2-5(8)7(10)3-6(4)9(11)12/h2-3,10H,1H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (100 MHz, Chloroform-d [77.0 ppm], ppm) δ = 150.9 (Cq), 135.4 (CH), 126.7 (Cq), 115.5 (Cq), 112.1 (CH), 19.6 (CH3). One quartenary carbon (1Cq) is not visible. However, in the HMBC couplings with a carbon at 148.9 ppm are visible.
DOI: 10.14272/undcynwwvctfes-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) (2-bromo-4-methyl-5-nitrophenol)
title: InChI=1S/C7H6BrNO3/c1-4-2-5(8)7(10)3-6(4)9(11)12/h2-3,10H,1H3

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 3373 (s), 3077 (m), 2928 (w), 2856 (w), 1568 (w), 1516 (vs), 1497 (vs), 1446 (m), 1380 (m), 1337 (vs), 1288 (vs), 1262 (s), 1190 (vs), 1094 (m), 1043 (w), 1021 (w), 977 (s), 882 (vs), 827 (s), 790 (vs), 755 (vs), 647 (w), 625 (m), 586 (s), 577 (s), 513 (m) cm–1.
DOI: 10.14272/undcynwwvctfes-uhfffaoysa-n.1
title: 2-bromo-4-methyl-5-nitrophenol
title: InChI=1S/C7H6BrNO3/c1-4-2-5(8)7(10)3-6(4)9(11)12/h2-3,10H,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/C7H6BrNO3/c1-4-2-5(8)7(10)3-6(4)9(11)12/h2-3,10H,1H3, and canonical SMILES descriptor[cheminf_000007]: [O-][N+](=O)c1cc(O)c(cc1C)Br, and by the IUPAC name[cheminf_000107]: 2-bromo-4-methyl-5-nitrophenol. 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-34447 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]: Melting point descriptor[CHEMINF_000256]: 102.5 (°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:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR) CHMO:0000630 | infrared absorption spectroscopy (IR) CHMO:0000470 | mass spectrometry (MS) CHMO:0000596 | distortionless enhancement with polarization transfer (DEPT) 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) 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/undcynwwvctfes-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (2-bromo-4-methyl-5-nitrophenol)
title: InChI=1S/C7H6BrNO3/c1-4-2-5(8)7(10)3-6(4)9(11)12/h2-3,10H,1H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, Chloroform-d [7.27 ppm], ppm) δ = 7.67 (s, 1H), 7.49 (s, 1H), 5.62 (s, 1H), 2.53 (s, 3H).
DOI: 10.14272/undcynwwvctfes-uhfffaoysa-n/chmo0000596
title: distortionless enhancement with polarization transfer (DEPT) (2-bromo-4-methyl-5-nitrophenol)
title: InChI=1S/C7H6BrNO3/c1-4-2-5(8)7(10)3-6(4)9(11)12/h2-3,10H,1H3

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/undcynwwvctfes-uhfffaoysa-n/chmo0000596.1
title: distortionless enhancement with polarization transfer (DEPT) (2-bromo-4-methyl-5-nitrophenol)
title: InChI=1S/C7H6BrNO3/c1-4-2-5(8)7(10)3-6(4)9(11)12/h2-3,10H,1H3

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/undcynwwvctfes-uhfffaoysa-n/chmo0001146
title: 1H--13C heteronuclear single quantum coherence (1H-13C HSQC) (2-bromo-4-methyl-5-nitrophenol)
title: InChI=1S/C7H6BrNO3/c1-4-2-5(8)7(10)3-6(4)9(11)12/h2-3,10H,1H3

description: dataset for 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
DOI: 10.14272/undcynwwvctfes-uhfffaoysa-n/chmo0001148
title: 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC) (2-bromo-4-methyl-5-nitrophenol)
title: InChI=1S/C7H6BrNO3/c1-4-2-5(8)7(10)3-6(4)9(11)12/h2-3,10H,1H3

description: dataset for 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
DOI: 10.14272/undcynwwvctfes-uhfffaoysa-n/chmo0001150
title: 1H--1H correlation spectroscopy (1H-1H COSY) (2-bromo-4-methyl-5-nitrophenol)
title: InChI=1S/C7H6BrNO3/c1-4-2-5(8)7(10)3-6(4)9(11)12/h2-3,10H,1H3

description: dataset for 1H--1H correlation spectroscopy (1H-1H COSY)
DOI: 10.14272/qzhyhzosgwvwqm-uhfffaoysa-n.1
title: 1H-indol-6-yl adamantane-1-carboxylate
title: InChI=1S/C19H21NO2/c21-18(22-16-2-1-15-3-4-20-17(15)8-16)19-9-12-5-13(10-19)7-14(6-12)11-19/h1-4,8,12-14,20H,5-7,9-11H2

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/C19H21NO2/c21-18(22-16-2-1-15-3-4-20-17(15)8-16)19-9-12-5-13(10-19)7-14(6-12)11-19/h1-4,8,12-14,20H,5-7,9-11H2, and canonical SMILES descriptor[cheminf_000007]: O=C(C12CC3CC(C2)CC(C1)C3)Oc1ccc2c(c1)[nH]cc2, 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-34453 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]: Melting point descriptor[CHEMINF_000256]: 189.6 (°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:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR) CHMO:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR) CHMO:0000630 | infrared absorption spectroscopy (IR) CHMO:0000470 | mass spectrometry (MS) CHMO:0000596 | distortionless enhancement with polarization transfer (DEPT) 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) 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/qzhyhzosgwvwqm-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) ()
title: InChI=1S/C19H21NO2/c21-18(22-16-2-1-15-3-4-20-17(15)8-16)19-9-12-5-13(10-19)7-14(6-12)11-19/h1-4,8,12-14,20H,5-7,9-11H2

description: dataset for mass spectrometry (MS) MS (EI, 70 eV, 110 °C), m/z (%): 295 (27) [M]+, 267 (12), 135 (100) [adamantyl]+.HRMS–EI (C19H21O2N) (m/z): [M]+ calcd 295.1565; found 295.1567.
DOI: 10.14272/qzhyhzosgwvwqm-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C19H21NO2/c21-18(22-16-2-1-15-3-4-20-17(15)8-16)19-9-12-5-13(10-19)7-14(6-12)11-19/h1-4,8,12-14,20H,5-7,9-11H2

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, Chloroform-d [7.27 ppm], ppm) δ = 8.15 (s, 1H), 7.59 (d, J = 8.6 Hz, 1H), 7.18 (pseudo-t, J = 2.8 Hz, 1H), 7.11 (s, 1H), 6.81 (dd, J = 2.0 Hz, J = 8.5 Hz, 1H), 6.54–6.53 (m, 1H), 2.10 (s, 9H), 1.80 (s, 6H). Impurities: Cyclohexane (1.44), ethyl acetate (2.04, 1.27).
DOI: 10.14272/qzhyhzosgwvwqm-uhfffaoysa-n/chmo0000596.1
title: distortionless enhancement with polarization transfer (DEPT) ()
title: InChI=1S/C19H21NO2/c21-18(22-16-2-1-15-3-4-20-17(15)8-16)19-9-12-5-13(10-19)7-14(6-12)11-19/h1-4,8,12-14,20H,5-7,9-11H2

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/qzhyhzosgwvwqm-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C19H21NO2/c21-18(22-16-2-1-15-3-4-20-17(15)8-16)19-9-12-5-13(10-19)7-14(6-12)11-19/h1-4,8,12-14,20H,5-7,9-11H2

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 3361 (m), 3309 (m), 2907 (vs), 2849 (s), 1717 (vs), 1622 (w), 1584 (w), 1504 (w), 1452 (s), 1412 (m), 1346 (m), 1323 (m), 1289 (w), 1266 (m), 1227 (vs), 1183 (vs), 1135 (vs), 1103 (s), 1058 (vs), 977 (w), 950 (m), 897 (m), 856 (s), 796 (s), 761 (s), 731 (w), 717 (vs), 670 (s), 615 (s), 603 (m), 574 (s), 530 (w) cm–1.
DOI: 10.14272/qzhyhzosgwvwqm-uhfffaoysa-n/chmo0001146
title: 1H--13C heteronuclear single quantum coherence (1H-13C HSQC) ()
title: InChI=1S/C19H21NO2/c21-18(22-16-2-1-15-3-4-20-17(15)8-16)19-9-12-5-13(10-19)7-14(6-12)11-19/h1-4,8,12-14,20H,5-7,9-11H2

description: dataset for 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
DOI: 10.14272/qzhyhzosgwvwqm-uhfffaoysa-n/chmo0001148
title: 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC) ()
title: InChI=1S/C19H21NO2/c21-18(22-16-2-1-15-3-4-20-17(15)8-16)19-9-12-5-13(10-19)7-14(6-12)11-19/h1-4,8,12-14,20H,5-7,9-11H2

description: dataset for 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
DOI: 10.14272/qzhyhzosgwvwqm-uhfffaoysa-n/chmo0001150
title: 1H--1H correlation spectroscopy (1H-1H COSY) ()
title: InChI=1S/C19H21NO2/c21-18(22-16-2-1-15-3-4-20-17(15)8-16)19-9-12-5-13(10-19)7-14(6-12)11-19/h1-4,8,12-14,20H,5-7,9-11H2

description: dataset for 1H--1H correlation spectroscopy (1H-1H COSY)
DOI: 10.14272/qzhyhzosgwvwqm-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C19H21NO2/c21-18(22-16-2-1-15-3-4-20-17(15)8-16)19-9-12-5-13(10-19)7-14(6-12)11-19/h1-4,8,12-14,20H,5-7,9-11H2

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (100 MHz, Chloroform-d [77.0 ppm], ppm) δ = 176.8 (Cq), 146.9 (Cq), 135.7 (Cq), 125.7 (Cq), 124.7 (CH), 121.0 (CH), 114.2 (CH), 103.9 (CH), 102.7 (CH), 41.1 (Cq), 38.9 (3CH2), 36.5 (3CH2), 28.0 (3CH).
DOI: 10.14272/qzhyhzosgwvwqm-uhfffaoysa-n/chmo0000596
title: distortionless enhancement with polarization transfer (DEPT) ()
title: InChI=1S/C19H21NO2/c21-18(22-16-2-1-15-3-4-20-17(15)8-16)19-9-12-5-13(10-19)7-14(6-12)11-19/h1-4,8,12-14,20H,5-7,9-11H2

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/jdvbdxyyrdrfrp-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (6-propoxy-1H-indole)
title: InChI=1S/C11H13NO/c1-2-7-13-10-4-3-9-5-6-12-11(9)8-10/h3-6,8,12H,2,7H2,1H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, Chloroform-d [7.27 ppm], ppm) δ = 7.99 (bs, 1H), 7.51 (d, J = 8.6 Hz, 1H), 7.10 (dd, J = 3.3 Hz, J = 2.3 Hz, 1H), 6.89 (s, 1H), 6.81 (dd, J = 2.2 Hz, J = 8.6 Hz, 1H), 6.49 (m, 1H), 3.97 (d, J = 6.6 Hz, 2H), 1.85 (h, J = 7.3 Hz, 2H), 1.02 (t, J = 7.4 Hz, 3H). Impurities: Water (1.55), silicone grease (0.09).
DOI: 10.14272/jdvbdxyyrdrfrp-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (6-propoxy-1H-indole)
title: InChI=1S/C11H13NO/c1-2-7-13-10-4-3-9-5-6-12-11(9)8-10/h3-6,8,12H,2,7H2,1H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (100 MHz, Chloroform-d [77.0 ppm], ppm) δ = 155.9 (Cq), 136.6 (Cq), 122.9 (CH), 122.1 (Cq), 121.2 (CH), 110.5 (CH), 102.5 (CH), 95.5 (CH), 70.1 (CH2), 22.7 (CH2), 10.6 (CH3).
DOI: 10.14272/jdvbdxyyrdrfrp-uhfffaoysa-n.1
title: 6-propoxy-1H-indole
title: InChI=1S/C11H13NO/c1-2-7-13-10-4-3-9-5-6-12-11(9)8-10/h3-6,8,12H,2,7H2,1H3

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/C11H13NO/c1-2-7-13-10-4-3-9-5-6-12-11(9)8-10/h3-6,8,12H,2,7H2,1H3, and canonical SMILES descriptor[cheminf_000007]: CCCOc1ccc2c(c1)[nH]cc2, and by the IUPAC name[cheminf_000107]: 6-propoxy-1H-indole. 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-34373 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:0000630 | infrared absorption spectroscopy (IR) CHMO:0000470 | mass spectrometry (MS) CHMO:0000596 | distortionless enhancement with polarization transfer (DEPT) 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) 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/jdvbdxyyrdrfrp-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) (6-propoxy-1H-indole)
title: InChI=1S/C11H13NO/c1-2-7-13-10-4-3-9-5-6-12-11(9)8-10/h3-6,8,12H,2,7H2,1H3

description: dataset for mass spectrometry (MS) MS (EI, 70 eV, 30 °C), m/z (%): 175 (79) [M]+, 133 (100) [M - n-propyl]+, 104 (12).HRMS–EI (C11H13NO) (m/z): [M]+ calcd 175.0992; found 175.0993.
DOI: 10.14272/jdvbdxyyrdrfrp-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) (6-propoxy-1H-indole)
title: InChI=1S/C11H13NO/c1-2-7-13-10-4-3-9-5-6-12-11(9)8-10/h3-6,8,12H,2,7H2,1H3

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 3404 (m), 2962 (m), 2932 (w), 2876 (w), 1625 (vs), 1578 (w), 1509 (s), 1453 (s), 1400 (m), 1388 (w), 1344 (w), 1320 (w), 1293 (vs), 1251 (vs), 1208 (m), 1166 (vs), 1118 (m), 1086 (s), 1062 (m), 1016 (m), 983 (vs), 946 (m), 897 (w), 802 (vs), 755 (s), 714 (vs), 628 (w), 606 (s) cm–1.
DOI: 10.14272/jdvbdxyyrdrfrp-uhfffaoysa-n/chmo0000596
title: distortionless enhancement with polarization transfer (DEPT) (6-propoxy-1H-indole)
title: InChI=1S/C11H13NO/c1-2-7-13-10-4-3-9-5-6-12-11(9)8-10/h3-6,8,12H,2,7H2,1H3

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/jdvbdxyyrdrfrp-uhfffaoysa-n/chmo0000596.1
title: distortionless enhancement with polarization transfer (DEPT) (6-propoxy-1H-indole)
title: InChI=1S/C11H13NO/c1-2-7-13-10-4-3-9-5-6-12-11(9)8-10/h3-6,8,12H,2,7H2,1H3

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/jdvbdxyyrdrfrp-uhfffaoysa-n/chmo0001148
title: 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC) (6-propoxy-1H-indole)
title: InChI=1S/C11H13NO/c1-2-7-13-10-4-3-9-5-6-12-11(9)8-10/h3-6,8,12H,2,7H2,1H3

description: dataset for 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
DOI: 10.14272/jdvbdxyyrdrfrp-uhfffaoysa-n/chmo0001146
title: 1H--13C heteronuclear single quantum coherence (1H-13C HSQC) (6-propoxy-1H-indole)
title: InChI=1S/C11H13NO/c1-2-7-13-10-4-3-9-5-6-12-11(9)8-10/h3-6,8,12H,2,7H2,1H3

description: dataset for 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
DOI: 10.14272/jdvbdxyyrdrfrp-uhfffaoysa-n/chmo0001150
title: 1H--1H correlation spectroscopy (1H-1H COSY) (6-propoxy-1H-indole)
title: InChI=1S/C11H13NO/c1-2-7-13-10-4-3-9-5-6-12-11(9)8-10/h3-6,8,12H,2,7H2,1H3

description: dataset for 1H--1H correlation spectroscopy (1H-1H COSY)
DOI: 10.48366/r603714
title: Analysis of the main characteristics of an educational project peculiarities

description: What are the significant features of international educational projects.
DOI: 10.25345/c5zk55x42
title: MassIVE MSV000092561 - TurboCas: A method for locus-specific dynamic labeling of genomic regions and their protein interactome
title: The regulation of gene expression is a complex process that requires the concerted action of transcription factors and chromatin binding proteins. Because this process is both unique to a given locus and varied in response to changing cellular conditions, dynamically mapping the chromatin binding activity at individual promoters and other regulatory loci is crucial to understanding how cis-regulatory elements control gene expression. Earlier methods could only characterize the static binding activity of a single given protein. However, the recent emergence of proximity labeling, a technique for interrogating protein-protein interactions, and the advances brought about by CRISPR technology have enabled the development of new methods that can dynamically map the chromatin binding and secondary association of multiple proteins at given loci. In this study we describe TurboCas, a method that leverages the latest generation of proximity labeling enzymes, miniTurbo, in combination with catalytically dead Cas9 to label chromatin-binding proteins efficiently, dynamically and in a site-specific manner. We demonstrate the use of TurboCas to identify proteins binding the promoter of the heat shock responsive FOS gene. At the FOS promoter, we identify both canonical regulators, such as HSPA8 and members of the HSP network; and members of novel pathways, including the Hippo pathway, fatty acid synthesis pathways and the SUMOylation pathway. TurboCas represents a significant improvement over previous locus-targeted proximity labelling methods, with the potential not only to deepen our understanding of regulatory pathways in cellular stress response, but more broadly to advance the transcriptional regulation and chromatin biology fields.