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

*Links on SpectraBase are not permalinks.
1(3H)-Isobenzofuranone, 3-methyl-3-[(4-methylphenyl)thio]-
SpectraBase Compound ID EX2Qk9wFWGV
InChI InChI=1S/C16H14O2S/c1-11-7-9-12(10-8-11)19-16(2)14-6-4-3-5-13(14)15(17)18-16/h3-10H,1-2H3
InChIKey UAWYWMWPWIACJU-UHFFFAOYSA-N
Mol Weight 270.35 g/mol
Molecular Formula C16H14O2S
Exact Mass 270.071451 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 DhGWKctSDfi
Name 1(3H)-Isobenzofuranone, 3-methyl-3-[(4-methylphenyl)thio]-
CAS Registry Number 61613-16-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H14O2S
InChI InChI=1S/C16H14O2S/c1-11-7-9-12(10-8-11)19-16(2)14-6-4-3-5-13(14)15(17)18-16/h3-10H,1-2H3
InChIKey UAWYWMWPWIACJU-UHFFFAOYSA-N
Molecular Weight 270.346 g/mol
SMILES C1(OC(=O)c2c1cccc2)(Sc1ccc(cc1)C)C
SPLASH splash10-0002-1900000000-20c450e1c6fa2298f672
Source of Spectrum K-109-3924-0
Synonyms 3-Methyl-3-(p-tolylthio)phthalide 3-Methyl-3-[(4-methylphenyl)thio]-1-isobenzofuranone 3-Methyl-3-(p-tolylsulfanyl)isobenzofuran-1-one
Wiley ID 1274282