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benzoic acid, 4-[3-mercapto-5-[3-(2-methylpropyl)-1H-pyrazol-5-yl]-4H-1,2,4-triazol-4-yl]-
SpectraBase Compound ID CBY3lbOhOTF
InChI InChI=1S/C16H17N5O2S/c1-9(2)7-11-8-13(18-17-11)14-19-20-16(24)21(14)12-5-3-10(4-6-12)15(22)23/h3-6,8-9H,7H2,1-2H3,(H,17,18)(H,20,24)(H,22,23)
InChIKey CXGMMQORWLUHFQ-UHFFFAOYSA-N
Mol Weight 343.4 g/mol
Molecular Formula C16H17N5O2S
Exact Mass 343.110296 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8wzl4XO9Q0C
Name benzoic acid, 4-[3-mercapto-5-[3-(2-methylpropyl)-1H-pyrazol-5-yl]-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/C16H17N5O2S/c1-9(2)7-11-8-13(18-17-11)14-19-20-16(24)21(14)12-5-3-10(4-6-12)15(22)23/h3-6,8-9H,7H2,1-2H3,(H,17,18)(H,20,24)(H,22,23)
InChIKey CXGMMQORWLUHFQ-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7529_5916
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/18247009; Labnumber: OBK-8360