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

*Links on SpectraBase are not permalinks.
3-(4-BROMOPHENYL)-2-THIOXO-1,3-THIAZEPAN-4-ONE
SpectraBase Compound ID HyOToQYIFen
InChI InChI=1S/C11H10BrNOS2/c12-8-3-5-9(6-4-8)13-10(14)2-1-7-16-11(13)15/h3-6H,1-2,7H2
InChIKey WSLXQWMNGVVNGX-UHFFFAOYSA-N
Mol Weight 316.23 g/mol
Molecular Formula C11H10BrNOS2
Exact Mass 314.938719 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 5hE9HUaAwab
Name 3-(4'-Bromophenyl)-2-thioxo-1,3-thiazepan-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H10BrNOS2
InChI InChI=1S/C11H10BrNOS2/c12-8-3-5-9(6-4-8)13-10(14)2-1-7-16-11(13)15/h3-6H,1-2,7H2
InChIKey WSLXQWMNGVVNGX-UHFFFAOYSA-N
Molecular Weight 316.231 g/mol
SMILES C1(SCCCC(N1c1ccc(cc1)Br)=O)=S
SPLASH splash10-02t9-0090000000-b88b5fee4bc5a9247f69
Source of Spectrum Y-36-1172-6
Synonyms 3-(4-bromophenyl)-2-thioxotetrahydro-1,3-thiazepin-4(5H)-one 3-(4-bromophenyl)-2-sulfanylidene-1,3-thiazepan-4-one
Wiley ID 762444