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4-(4-(Ethoxycarbonyl)-2-ethylpent-4-en-1-yl)benzoic acid

View entire compound with spectra: 1 MS (GC)

4-(4-(Ethoxycarbonyl)-2-ethylpent-4-en-1-yl)benzoic acid
SpectraBase Compound ID EyVk5W9Ofjr
InChI InChI=1S/C17H22O4/c1-4-13(10-12(3)17(20)21-5-2)11-14-6-8-15(9-7-14)16(18)19/h6-9,13H,3-5,10-11H2,1-2H3,(H,18,19)
InChIKey VKOLNOWSUULBTR-UHFFFAOYSA-N
Mol Weight 290.36 g/mol
Molecular Formula C17H22O4
Exact Mass 290.151809 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H3a1n0FZ3kC
Name 4-(4-(Ethoxycarbonyl)-2-ethylpent-4-en-1-yl)benzoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H22O4
InChI InChI=1S/C17H22O4/c1-4-13(10-12(3)17(20)21-5-2)11-14-6-8-15(9-7-14)16(18)19/h6-9,13H,3-5,10-11H2,1-2H3,(H,18,19)
InChIKey VKOLNOWSUULBTR-UHFFFAOYSA-N
Literature Reference DOI 10.1021/acs.orglett.6b00802
Molecular Weight 290.359 g/mol
SMILES OC(c1ccc(cc1)CC(CC(=C)C(=O)OCC)CC)=O
SPLASH splash10-002f-1960000000-3202f24fd0770d04a4bb
Source of Spectrum A1-18-2188/SM10-5
Wiley ID 1805398