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Butyl (E)-4-carboxycinnamate

View entire compound with spectra: 1 MS (GC)

Butyl (E)-4-carboxycinnamate
SpectraBase Compound ID 8kI8zDwQUs9
InChI InChI=1S/C14H16O4/c1-2-3-10-18-13(15)9-6-11-4-7-12(8-5-11)14(16)17/h4-9H,2-3,10H2,1H3,(H,16,17)/b9-6+
InChIKey JKSNTTMHYMQNMQ-RMKNXTFCSA-N
Mol Weight 248.28 g/mol
Molecular Formula C14H16O4
Exact Mass 248.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 73rVBMzNPMF
Name Butyl (E)-4-carboxycinnamate
Alternate Name(s) (E)-4-(3-butoxy-3-oxoprop-1-en-1-yl)benzoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H16O4
InChI InChI=1S/C14H16O4/c1-2-3-10-18-13(15)9-6-11-4-7-12(8-5-11)14(16)17/h4-9H,2-3,10H2,1H3,(H,16,17)/b9-6+
InChIKey JKSNTTMHYMQNMQ-RMKNXTFCSA-N
Literature Reference DOI 10.1002/cctc.201100345
Molecular Weight 248.278 g/mol
SMILES OC(=O)c1ccc(\C=C\C(=O)OCCCC)cc1
SPLASH splash10-002g-0900000000-ed420b12b65d64a9ea39
Source of Spectrum CCC-4-546/SM9-9_4
Wiley ID 1786949