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4H-1,2,4-triazole-3-thiol, 4-(1,3-benzodioxol-5-yl)-5-cyclopropyl-
SpectraBase Compound ID 6E56j50lgJ9
InChI InChI=1S/C12H11N3O2S/c18-12-14-13-11(7-1-2-7)15(12)8-3-4-9-10(5-8)17-6-16-9/h3-5,7H,1-2,6H2,(H,14,18)
InChIKey KGORHXRTOCIEQA-UHFFFAOYSA-N
Mol Weight 261.3 g/mol
Molecular Formula C12H11N3O2S
Exact Mass 261.057198 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KSt5LqRrUSv
Name 4H-1,2,4-triazole-3-thiol, 4-(1,3-benzodioxol-5-yl)-5-cyclopropyl-
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/C12H11N3O2S/c18-12-14-13-11(7-1-2-7)15(12)8-3-4-9-10(5-8)17-6-16-9/h3-5,7H,1-2,6H2,(H,14,18)
InChIKey KGORHXRTOCIEQA-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7529_6614
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/18277064; Labnumber: OBK-8489