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N-(1,3-benzodioxol-5-ylmethyl)-2-[(1-methyl-1H-tetraazol-5-yl)sulfanyl]acetamide
SpectraBase Compound ID KQK0Ptto8nu
InChI InChI=1S/C12H13N5O3S/c1-17-12(14-15-16-17)21-6-11(18)13-5-8-2-3-9-10(4-8)20-7-19-9/h2-4H,5-7H2,1H3,(H,13,18)
InChIKey CQAUWNPWMYASNA-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 AxLhkYMJO5R
Name N-(1,3-benzodioxol-5-ylmethyl)-2-[(1-methyl-1H-tetraazol-5-yl)sulfanyl]acetamide
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)21-6-11(18)13-5-8-2-3-9-10(4-8)20-7-19-9/h2-4H,5-7H2,1H3,(H,13,18)
InChIKey CQAUWNPWMYASNA-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_32129
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: 1844623; SBI_ID: SBI-032133
Temperature 308 °C