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N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[(1-methyl-1H-tetraazol-5-yl)sulfanyl]acetamide
SpectraBase Compound ID KNJN3ECMZqr
InChI InChI=1S/C13H13N5O4S/c1-7(19)8-3-10-11(22-6-21-10)4-9(8)14-12(20)5-23-13-15-16-17-18(13)2/h3-4H,5-6H2,1-2H3,(H,14,20)
InChIKey SXPHDZGMSTTXNU-UHFFFAOYSA-N
Mol Weight 335.34 g/mol
Molecular Formula C13H13N5O4S
Exact Mass 335.068825 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HmwsYdNXLqG
Name N-(6-acetyl-1,3-benzodioxol-5-yl)-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/C13H13N5O4S/c1-7(19)8-3-10-11(22-6-21-10)4-9(8)14-12(20)5-23-13-15-16-17-18(13)2/h3-4H,5-6H2,1-2H3,(H,14,20)
InChIKey SXPHDZGMSTTXNU-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_31049
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: 1728309; SBI_ID: SBI-031053
Temperature 318 °C