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benzoic acid, 2-chloro-5-[3-mercapto-5-(2-thienylmethyl)-4H-1,2,4-triazol-4-yl]-
SpectraBase Compound ID 5dANOd7lM5L
InChI InChI=1S/C14H10ClN3O2S2/c15-11-4-3-8(6-10(11)13(19)20)18-12(16-17-14(18)21)7-9-2-1-5-22-9/h1-6H,7H2,(H,17,21)(H,19,20)
InChIKey UEZCGZKHTWXLBY-UHFFFAOYSA-N
Mol Weight 351.83 g/mol
Molecular Formula C14H10ClN3O2S2
Exact Mass 350.990297 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID I5b1oFWtq9c
Name benzoic acid, 2-chloro-5-[3-mercapto-5-(2-thienylmethyl)-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/C14H10ClN3O2S2/c15-11-4-3-8(6-10(11)13(19)20)18-12(16-17-14(18)21)7-9-2-1-5-22-9/h1-6H,7H2,(H,17,21)(H,19,20)
InChIKey UEZCGZKHTWXLBY-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_292
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: F03896; Labnumber: NNOBK-8294
Temperature 308 °C