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

*Links on SpectraBase are not permalinks.
2-[.alpha.-(p-bromophenyl)-.beta.-mercaptoethenyl]isoquinolin-1-(2H)-one
SpectraBase Compound ID DwCBVhELEVr
InChI InChI=1S/C17H12BrNOS/c18-14-7-5-13(6-8-14)16(11-21)19-10-9-12-3-1-2-4-15(12)17(19)20/h1-11,21H/b16-11+
InChIKey XCPBHGUWUZTITO-LFIBNONCSA-N
Mol Weight 358.25 g/mol
Molecular Formula C17H12BrNOS
Exact Mass 356.982298 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 ESkDpCODazP
Name 2-[.alpha.-(p-bromophenyl)-.beta.-mercaptoethenyl]isoquinolin-1-(2H)-one
CAS Registry Number 107454-09-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H12BrNOS
InChI InChI=1S/C17H12BrNOS/c18-14-7-5-13(6-8-14)16(11-21)19-10-9-12-3-1-2-4-15(12)17(19)20/h1-11,21H/b16-11+
InChIKey XCPBHGUWUZTITO-LFIBNONCSA-N
Molecular Weight 358.253 g/mol
SMILES S\C=C/(N1C(c2ccccc2C=C1)=O)c1ccc(cc1)Br
SPLASH splash10-004i-0009000000-3ccc2d44701d5a3a93bf
Source of Spectrum J-52-2017-13
Synonyms 2-[(E)-1-(4-bromophenyl)-2-sulfanylethenyl]-1(2H)-isoquinolinone
Wiley ID 1346364