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

*Links on SpectraBase are not permalinks.
Mandelic acid, benzyl ester
SpectraBase Compound ID 4gSwVUsW4hm
InChI InChI=1S/C15H14O3/c16-14(13-9-5-2-6-10-13)15(17)18-11-12-7-3-1-4-8-12/h1-10,14,16H,11H2
InChIKey JFKWZVQEMSKSBU-UHFFFAOYSA-N
Mol Weight 242.27 g/mol
Molecular Formula C15H14O3
Exact Mass 242.094294 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 2n4tQEhDwps
Name Benzyl mandelate
CAS Registry Number 890-98-2
Classification Pharmaceutical drug, spasmolytic
Comments Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 242.094294308 u
Formula C15H14O3
InChI InChI=1S/C15H14O3/c16-14(13-9-5-2-6-10-13)15(17)18-11-12-7-3-1-4-8-12/h1-10,14,16H,11H2
InChIKey JFKWZVQEMSKSBU-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 242.274 g/mol
Nominal Mass 242 u
Quality 995
Retention Index 1998
SMILES OC(C1=CC=CC=C1)C(OCC=1C=CC=CC1)=O
SPLASH splash10-0a6r-9500000000-54c3f66a6351263f3321
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Benzylin Benzyl-(2-hydroxy-2-phenyl) acetate
Technique GC/MS
Wiley ID DD2024_013011