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5-{5-[(2-amino-2-oxoethyl)sulfanyl]-1H-tetraazol-1-yl}-2-chlorobenzoic acid
SpectraBase Compound ID WlyNJEnYm4
InChI InChI=1S/C10H8ClN5O3S/c11-7-2-1-5(3-6(7)9(18)19)16-10(13-14-15-16)20-4-8(12)17/h1-3H,4H2,(H2,12,17)(H,18,19)
InChIKey RSMSVOZOHHAJPX-UHFFFAOYSA-N
Mol Weight 313.72 g/mol
Molecular Formula C10H8ClN5O3S
Exact Mass 313.003638 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HTsudvXpfSY
Name 5-{5-[(2-amino-2-oxoethyl)sulfanyl]-1H-tetraazol-1-yl}-2-chlorobenzoic acid
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/C10H8ClN5O3S/c11-7-2-1-5(3-6(7)9(18)19)16-10(13-14-15-16)20-4-8(12)17/h1-3H,4H2,(H2,12,17)(H,18,19)
InChIKey RSMSVOZOHHAJPX-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_22315
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: D58589; Labnumber: SPLUK-0900; SBI_ID: SBI-022319
Temperature 318 °C