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3-({[(1-methyl-1H-tetraazol-5-yl)sulfanyl]acetyl}amino)benzoic acid
SpectraBase Compound ID A7VJFDauB9j
InChI InChI=1S/C11H11N5O3S/c1-16-11(13-14-15-16)20-6-9(17)12-8-4-2-3-7(5-8)10(18)19/h2-5H,6H2,1H3,(H,12,17)(H,18,19)
InChIKey PAJSHWWBSNVYAT-UHFFFAOYSA-N
Mol Weight 293.3 g/mol
Molecular Formula C11H11N5O3S
Exact Mass 293.05826 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FuCtbbHbcr6
Name 3-({[(1-methyl-1H-tetraazol-5-yl)sulfanyl]acetyl}amino)benzoic 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/C11H11N5O3S/c1-16-11(13-14-15-16)20-6-9(17)12-8-4-2-3-7(5-8)10(18)19/h2-5H,6H2,1H3,(H,12,17)(H,18,19)
InChIKey PAJSHWWBSNVYAT-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_31021
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: 1728252; SBI_ID: SBI-031025
Temperature 318 °C