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5-(1,3-benzodioxol-5-yl)-4-benzyl-4H-1,2,4-triazole-3-thiol

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5-(1,3-benzodioxol-5-yl)-4-benzyl-4H-1,2,4-triazole-3-thiol
SpectraBase Compound ID BcqDVIpXZHb
InChI InChI=1S/C16H13N3O2S/c22-16-18-17-15(19(16)9-11-4-2-1-3-5-11)12-6-7-13-14(8-12)21-10-20-13/h1-8H,9-10H2,(H,18,22)
InChIKey CXSJKZINCOFBEI-UHFFFAOYSA-N
Mol Weight 311.36 g/mol
Molecular Formula C16H13N3O2S
Exact Mass 311.072848 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID ADFXDcas5tS
Name 5-(1,3-benzodioxol-5-yl)-4-benzyl-4H-1,2,4-triazole-3-thiol
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/C16H13N3O2S/c22-16-18-17-15(19(16)9-11-4-2-1-3-5-11)12-6-7-13-14(8-12)21-10-20-13/h1-8H,9-10H2,(H,18,22)
InChIKey CXSJKZINCOFBEI-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_6474
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: UZI/1026035; Labnumber: COL1660; UZI_ID: UZI-006476
Synonyms 5-(1,3-benzodioxol-5-yl)-4-benzyl-4H-1,2,4-triazol-3-yl hydrosulfide
Temperature 318 °C