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

*Links on SpectraBase are not permalinks.
2-keto-4-phenyl-but-3-ynoic acid isopropyl ester
SpectraBase Compound ID 4tBhQyjuAPn
InChI InChI=1S/C13H12O3/c1-10(2)16-13(15)12(14)9-8-11-6-4-3-5-7-11/h3-7,10H,1-2H3
InChIKey DTPILOGJFSYEDJ-UHFFFAOYSA-N
Mol Weight 216.24 g/mol
Molecular Formula C13H12O3
Exact Mass 216.078644 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 FIDhuGJTHxO
Name 2-keto-4-phenyl-but-3-ynoic acid isopropyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H12O3
InChI InChI=1S/C13H12O3/c1-10(2)16-13(15)12(14)9-8-11-6-4-3-5-7-11/h3-7,10H,1-2H3
InChIKey DTPILOGJFSYEDJ-UHFFFAOYSA-N
Molecular Weight 216.236 g/mol
SMILES C(C(C#Cc1ccccc1)=O)(=O)OC(C)C
SPLASH splash10-004i-1900000000-ddad21e7bf2714147169
Source of Spectrum F-68-10174-1
Synonyms 2-Oxo-4-phenyl-3-butynoic acid propan-2-yl ester isopropyl 2-oxo-4-phenyl-but-3-ynoate Propan-2-yl 2-oxidanylidene-4-phenyl-but-3-ynoate Propan-2-yl 2-oxo-4-phenylbut-3-ynoate
Wiley ID 1573996