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(2E)-3-(4-methoxyphenyl)-2-(2-oxolanylidene)-3-butenoic acid propan-2-yl ester

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

(2E)-3-(4-methoxyphenyl)-2-(2-oxolanylidene)-3-butenoic acid propan-2-yl ester
SpectraBase Compound ID FhYsBjSevML
InChI InChI=1S/C18H22O4/c1-12(2)22-18(19)17(16-6-5-11-21-16)13(3)14-7-9-15(20-4)10-8-14/h7-10,12H,3,5-6,11H2,1-2,4H3/b17-16+
InChIKey KLKQJFMCAQXGST-WUKNDPDISA-N
Mol Weight 302.37 g/mol
Molecular Formula C18H22O4
Exact Mass 302.151809 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID IGBXUGnxGon
Name (2E)-3-(4-Methoxyphenyl)-2-(2-oxolanylidene)-3-butenoic acid propan-2-yl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 302.151809184 u
Formula C18H22O4
InChI InChI=1S/C18H22O4/c1-12(2)22-18(19)17(16-6-5-11-21-16)13(3)14-7-9-15(20-4)10-8-14/h7-10,12H,3,5-6,11H2,1-2,4H3/b17-16+
InChIKey KLKQJFMCAQXGST-WUKNDPDISA-N
SMILES C(\C(C(C=1C=CC(=CC1)OC)=C)=C/1OCCC1)(OC(C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.93814