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

*Links on SpectraBase are not permalinks.

1-Benzo[1,3]dioxol-5-yl-5-(2-chloro-4-fluoro-benzylsulfanyl)-1H-tetrazole

View entire compound with spectra: 1 NMR, and 1 MS (GC)

1-Benzo[1,3]dioxol-5-yl-5-(2-chloro-4-fluoro-benzylsulfanyl)-1H-tetrazole
SpectraBase Compound ID LiN0EykUusU
InChI InChI=1S/C15H10ClFN4O2S/c16-12-5-10(17)2-1-9(12)7-24-15-18-19-20-21(15)11-3-4-13-14(6-11)23-8-22-13/h1-6H,7-8H2
InChIKey BAMNCIKRYLGSAJ-UHFFFAOYSA-N
Mol Weight 364.78 g/mol
Molecular Formula C15H10ClFN4O2S
Exact Mass 364.019703 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 6jbDT79Dk8m
Name 1H-tetrazole, 1-(1,3-benzodioxol-5-yl)-5-[[(2-chloro-4-fluorophenyl)methyl]thio]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 364.019702613 u
Formula C15H10ClFN4O2S
InChI InChI=1S/C15H10ClFN4O2S/c16-12-5-10(17)2-1-9(12)7-24-15-18-19-20-21(15)11-3-4-13-14(6-11)23-8-22-13/h1-6H,7-8H2
InChIKey BAMNCIKRYLGSAJ-UHFFFAOYSA-N
Molecular Weight 364.782 g/mol
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_4772
Solvent DMSO-d6
Source Vendor ID: NMR/9301307; Lab Info: SAD; Lab Number: SAD-DAST946