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

*Links on SpectraBase are not permalinks.
3-Benzylisocoumarin
SpectraBase Compound ID 28Qpwih97so
InChI InChI=1S/C16H12O2/c17-16-15-9-5-4-8-13(15)11-14(18-16)10-12-6-2-1-3-7-12/h1-9,11H,10H2
InChIKey ZNYDNBPXQLEEFV-UHFFFAOYSA-N
Mol Weight 236.27 g/mol
Molecular Formula C16H12O2
Exact Mass 236.08373 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 Ch3MghMxqUV
Name 3-Benzylisocoumarin
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H12O2
InChI InChI=1S/C16H12O2/c17-16-15-9-5-4-8-13(15)11-14(18-16)10-12-6-2-1-3-7-12/h1-9,11H,10H2
InChIKey ZNYDNBPXQLEEFV-UHFFFAOYSA-N
Molecular Weight 236.270 g/mol
SMILES C1(=O)OC(=Cc2ccccc12)Cc1ccccc1
SPLASH splash10-052r-0090000000-788af03d3d79a0c9fd4a
Source of Spectrum Y1-37-1022-2
Synonyms 3-Benzylisochromen-1-one 3-(Phenylmethyl)-2-benzopyran-1-one 3-(Phenylmethyl)isochromen-1-one
Wiley ID 1527569