For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
1H-tetrazole, 5-[(1,3-benzodioxol-5-ylmethyl)thio]-1-(3-chloro-4-methylphenyl)-
SpectraBase Compound ID COeCa0SLqvg
InChI InChI=1S/C16H13ClN4O2S/c1-10-2-4-12(7-13(10)17)21-16(18-19-20-21)24-8-11-3-5-14-15(6-11)23-9-22-14/h2-7H,8-9H2,1H3
InChIKey AIUFAWHWFKAPLK-UHFFFAOYSA-N
Mol Weight 360.82 g/mol
Molecular Formula C16H13ClN4O2S
Exact Mass 360.044775 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 9qEVfodNCF5
Name 1H-tetrazole, 5-[(1,3-benzodioxol-5-ylmethyl)thio]-1-(3-chloro-4-methylphenyl)-
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/C16H13ClN4O2S/c1-10-2-4-12(7-13(10)17)21-16(18-19-20-21)24-8-11-3-5-14-15(6-11)23-9-22-14/h2-7H,8-9H2,1H3
InChIKey AIUFAWHWFKAPLK-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_2148
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/11268715