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benzoic acid, 4-(3-cyclopropyl-5-mercapto-4H-1,2,4-triazol-4-yl)-

View entire compound with spectra: 1 NMR

benzoic acid, 4-(3-cyclopropyl-5-mercapto-4H-1,2,4-triazol-4-yl)-
SpectraBase Compound ID 2TIk54bJLDy
InChI InChI=1S/C12H11N3O2S/c16-11(17)8-3-5-9(6-4-8)15-10(7-1-2-7)13-14-12(15)18/h3-7H,1-2H2,(H,14,18)(H,16,17)
InChIKey NDKCZLNFOYBCQF-UHFFFAOYSA-N
Mol Weight 261.3 g/mol
Molecular Formula C12H11N3O2S
Exact Mass 261.057198 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FbwPv8VF1cS
Name benzoic acid, 4-(3-cyclopropyl-5-mercapto-4H-1,2,4-triazol-4-yl)-
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C12H11N3O2S/c16-11(17)8-3-5-9(6-4-8)15-10(7-1-2-7)13-14-12(15)18/h3-7H,1-2H2,(H,14,18)(H,16,17)
InChIKey NDKCZLNFOYBCQF-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7529_6609
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: NMR/18277059; Labnumber: OBK-8484