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2,4-Heptadienoic acid, 4-propyl-, methyl ester, (E,E)-
SpectraBase Compound ID ITWajaAhGOY
InChI InChI=1S/C11H18O2/c1-4-6-10(7-5-2)8-9-11(12)13-3/h6,8-9H,4-5,7H2,1-3H3/b9-8+,10-6+
InChIKey LKQVXHVGOBLNLH-JSAGYHNASA-N
Mol Weight 182.26 g/mol
Molecular Formula C11H18O2
Exact Mass 182.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5LQmkSa2Bji
Name 2,4-Heptadienoic acid, 4-propyl-, methyl ester, (E,E)-
CAS Registry Number 67428-34-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H18O2
InChI InChI=1S/C11H18O2/c1-4-6-10(7-5-2)8-9-11(12)13-3/h6,8-9H,4-5,7H2,1-3H3/b9-8+,10-6+
InChIKey LKQVXHVGOBLNLH-JSAGYHNASA-N
Molecular Weight 182.263 g/mol
SMILES C(\C=C\C(=C\CC)CCC)(=O)OC
SPLASH splash10-03di-5900000000-9ae6ef1669440bedf368
Source of Spectrum C-100-3432-0
Synonyms Methyl (2E,4E)-4-propyl-2,4-heptadienoate Methyl 4-n-propylhepta-2,4-dienoate Methyl (2E,4E)-4-propylhepta-2,4-dienoate
Wiley ID 1178620