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(2E,4E)-9-(1,3-Benzodioxol-5-yl)-2,4-nonadienoic acid

View entire compound with spectra: 2 MS (GC)

(2E,4E)-9-(1,3-Benzodioxol-5-yl)-2,4-nonadienoic acid
SpectraBase Compound ID 1rt2r5jQvhY
InChI InChI=1S/C16H18O4/c17-16(18)8-6-4-2-1-3-5-7-13-9-10-14-15(11-13)20-12-19-14/h2,4,6,8-11H,1,3,5,7,12H2,(H,17,18)/b4-2+,8-6+
InChIKey MRBFGNYYUMWSDS-REBBJWOHSA-N
Mol Weight 274.32 g/mol
Molecular Formula C16H18O4
Exact Mass 274.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IyBFJws97cL
Name (2E,4E)-9-(1,3-Benzodioxol-5-yl)-2,4-nonadienoic acid
Alternate Name(s) (2E,4E)-9-(1,3-benzodioxol-5-yl)nona-2,4-dienoic acid (2E,4E)-9-(3,4-Methylenedioxyphenyl)nona-2,4-dienoic acid
CAS Registry Number 96386-57-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H18O4
InChI InChI=1S/C16H18O4/c17-16(18)8-6-4-2-1-3-5-7-13-9-10-14-15(11-13)20-12-19-14/h2,4,6,8-11H,1,3,5,7,12H2,(H,17,18)/b4-2+,8-6+
InChIKey MRBFGNYYUMWSDS-REBBJWOHSA-N
Molecular Weight 274.316 g/mol
SMILES OC(=O)\C=C\C=C\CCCCc1cc2c(OCO2)cc1
SPLASH splash10-0079-2920000000-0560fabee945367a55bb
Source of Spectrum W5-1989-34481-31055
Wiley ID 1278210