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2-{[1-(1,3-benzodioxol-5-yl)-1H-tetraazol-5-yl]sulfanyl}-N-mesitylacetamide
SpectraBase Compound ID 324IJA2g0eP
InChI InChI=1S/C19H19N5O3S/c1-11-6-12(2)18(13(3)7-11)20-17(25)9-28-19-21-22-23-24(19)14-4-5-15-16(8-14)27-10-26-15/h4-8H,9-10H2,1-3H3,(H,20,25)
InChIKey JTOOZYDWIXGKMR-UHFFFAOYSA-N
Mol Weight 397.45 g/mol
Molecular Formula C19H19N5O3S
Exact Mass 397.120861 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9dpFDhKlwD6
Name 2-{[1-(1,3-benzodioxol-5-yl)-1H-tetraazol-5-yl]sulfanyl}-N-mesitylacetamide
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/C19H19N5O3S/c1-11-6-12(2)18(13(3)7-11)20-17(25)9-28-19-21-22-23-24(19)14-4-5-15-16(8-14)27-10-26-15/h4-8H,9-10H2,1-3H3,(H,20,25)
InChIKey JTOOZYDWIXGKMR-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7000_4956
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: NMR/10311091; Labnumber: SAD-002580; IOH_ID: IOH-004957