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methyl 2-({[(1-methyl-1H-tetraazol-5-yl)sulfanyl]acetyl}amino)benzoate
SpectraBase Compound ID DTv5O8uwIWM
InChI InChI=1S/C12H13N5O3S/c1-17-12(14-15-16-17)21-7-10(18)13-9-6-4-3-5-8(9)11(19)20-2/h3-6H,7H2,1-2H3,(H,13,18)
InChIKey QPJALGCILZMUHL-UHFFFAOYSA-N
Mol Weight 307.33 g/mol
Molecular Formula C12H13N5O3S
Exact Mass 307.07391 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2M3lemfhGfb
Name methyl 2-({[(1-methyl-1H-tetraazol-5-yl)sulfanyl]acetyl}amino)benzoate
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/C12H13N5O3S/c1-17-12(14-15-16-17)21-7-10(18)13-9-6-4-3-5-8(9)11(19)20-2/h3-6H,7H2,1-2H3,(H,13,18)
InChIKey QPJALGCILZMUHL-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_31016
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: 1728244; SBI_ID: SBI-031020
Temperature 318 °C