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

*Links on SpectraBase are not permalinks.
3-(1-benzothiophen-2-yl)-3-methyl-1-isobenzofuranone
SpectraBase Compound ID FnYpycXvuYX
InChI InChI=1S/C17H12O2S/c1-17(13-8-4-3-7-12(13)16(18)19-17)15-10-11-6-2-5-9-14(11)20-15/h2-10H,1H3
InChIKey ZXSUCHKFZRDTLW-UHFFFAOYSA-N
Mol Weight 280.34 g/mol
Molecular Formula C17H12O2S
Exact Mass 280.055801 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 Hy7y4vgKI2K
Name 3-(1-benzothiophen-2-yl)-3-methyl-1-isobenzofuranone
CAS Registry Number 83656-76-2
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H12O2S
InChI InChI=1S/C17H12O2S/c1-17(13-8-4-3-7-12(13)16(18)19-17)15-10-11-6-2-5-9-14(11)20-15/h2-10H,1H3
InChIKey ZXSUCHKFZRDTLW-UHFFFAOYSA-N
Molecular Weight 280.341 g/mol
SMILES C1(c2sc3ccccc3c2)(OC(=O)c2c1cccc2)C
SPLASH splash10-014i-0090000000-0d4bda25fe17c739ebb1
Source of Spectrum Y-19-867-0
Synonyms 3-(1-benzothiophen-2-yl)-3-methyl-2-benzofuran-1-one 3-(benzothiophen-2-yl)-3-methyl-isobenzofuran-1-one 3-(benzothiophen-2-yl)-3-methyl-phthalide
Wiley ID 1284056