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

*Links on SpectraBase are not permalinks.
Mandelic acid, .alpha.-cyano-, ethyl ester, benzoate (ester)
SpectraBase Compound ID 3Yl4fRCcFQW
InChI InChI=1S/C18H15NO4/c1-2-22-17(21)18(13-19,15-11-7-4-8-12-15)23-16(20)14-9-5-3-6-10-14/h3-12H,2H2,1H3
InChIKey IWFSTRVHDQQGFY-UHFFFAOYSA-N
Mol Weight 309.32 g/mol
Molecular Formula C18H15NO4
Exact Mass 309.100108 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 EmM6XrUlGzv
Name Mandelic acid, .alpha.-cyano-, ethyl ester, benzoate (ester)
Alternate Name(s) 1-Cyano-2-ethoxy-2-oxo-1-phenylethyl benzoate (1-cyano-2-ethoxy-2-oxidanylidene-1-phenyl-ethyl) benzoate benzoic acid (1-cyano-2-ethoxy-2-keto-1-phenyl-ethyl) ester benzoic acid (1-cyano-2-ethoxy-2-oxo-1-phenylethyl) ester (1-cyano-2-ethoxy-2-oxo-1-phenylethyl) benzoate
CAS Registry Number 19971-69-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H15NO4
InChI InChI=1S/C18H15NO4/c1-2-22-17(21)18(13-19,15-11-7-4-8-12-15)23-16(20)14-9-5-3-6-10-14/h3-12H,2H2,1H3
InChIKey IWFSTRVHDQQGFY-UHFFFAOYSA-N
Molecular Weight 309.321 g/mol
SMILES CCOC(C(C#N)(c1ccccc1)OC(c1ccccc1)=O)=O
SPLASH splash10-0a4i-4920000000-6f064fa07cd89e2238ff
Source of Spectrum T-68-3929-0
Wiley ID 46025