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2,7-Nonadienoic acid, ethyl ester, (E,E)-
SpectraBase Compound ID 5UGMLXY1tsL
InChI InChI=1S/C11H18O2/c1-3-5-6-7-8-9-10-11(12)13-4-2/h3,5,9-10H,4,6-8H2,1-2H3/b5-3+,10-9+
InChIKey CMELRMQKMWIHFT-HVKYMCTOSA-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 LIF9z5SoqDc
Name 2,7-Nonadienoic acid, ethyl ester, (E,E)-
Alternate Name(s) Ethyl (2E,7E)-2,7-nonadienoate Ethyl (E,E)-nona-2,7-dienoate Ethyl (2E,7E)-nona-2,7-dienoate
CAS Registry Number 106625-80-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H18O2
InChI InChI=1S/C11H18O2/c1-3-5-6-7-8-9-10-11(12)13-4-2/h3,5,9-10H,4,6-8H2,1-2H3/b5-3+,10-9+
InChIKey CMELRMQKMWIHFT-HVKYMCTOSA-N
Molecular Weight 182.263 g/mol
SMILES C(\C=C\CCC\C=C\C)(=O)OCC
SPLASH splash10-02tc-9400000000-604c4079810a4f1e944a
Source of Spectrum J-52-885-9
Wiley ID 1178825