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

*Links on SpectraBase are not permalinks.
S-methyl 4-bromobenzothioate
SpectraBase Compound ID 67gdmnwn4Ha
InChI InChI=1S/C8H7BrOS/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5H,1H3
InChIKey REIWMZNDMAMYSD-UHFFFAOYSA-N
Mol Weight 231.11 g/mol
Molecular Formula C8H7BrOS
Exact Mass 229.940099 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID 4REHBkzCb2
Name S-methyl 4-bromobenzothioate
Appearance Light yellow liquid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H7BrOS
InChI InChI=1S/C8H7BrOS/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5H,1H3
InChIKey REIWMZNDMAMYSD-UHFFFAOYSA-N
Instrument Name Shimadzu-QP2010
Ionization Type EI
Literature Reference DOI 10.1002/ajoc.202000520
Molecular Weight 231.107 g/mol
Reported Formula C8H7(79)BrOS
SMILES c1(Br)ccc(cc1)C(=O)SC
SPLASH splash10-0569-2900000000-7fd11172b1a270f7f960
Source of Spectrum AJO-9-SM57-23a
Wiley ID 1855701