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

*Links on SpectraBase are not permalinks.
2-Benzoyl-2-prop-2-ynyl-4-pentenoic acid ethyl ester
SpectraBase Compound ID FKdljGzRuJM
InChI InChI=1S/C17H18O3/c1-4-12-17(13-5-2,16(19)20-6-3)15(18)14-10-8-7-9-11-14/h1,5,7-11H,2,6,12-13H2,3H3
InChIKey NTSITOOUXDUDHF-UHFFFAOYSA-N
Mol Weight 270.33 g/mol
Molecular Formula C17H18O3
Exact Mass 270.125594 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 JQTwIpVopFE
Name 2-Benzoyl-2-prop-2-ynyl-4-pentenoic acid ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H18O3
InChI InChI=1S/C17H18O3/c1-4-12-17(13-5-2,16(19)20-6-3)15(18)14-10-8-7-9-11-14/h1,5,7-11H,2,6,12-13H2,3H3
InChIKey NTSITOOUXDUDHF-UHFFFAOYSA-N
Molecular Weight 270.328 g/mol
SMILES C(C(CC=C)(CC#C)C(c1ccccc1)=O)(=O)OCC
SPLASH splash10-0a4i-2900000000-4fd64834835054400288
Source of Spectrum K1-2004-3451-1
Synonyms 2-Benzoyl-2-propargyl-pent-4-enoic acid ethyl ester Ethyl 2-(phenylcarbonyl)-2-prop-2-ynyl-pent-4-enoate Ethyl 2-benzoyl-2-prop-2-ynylpent-4-enoate
Wiley ID 1561336