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(5E,7E)-dodeca-5,7-dienoic acid methyl ester
SpectraBase Compound ID 9TPn9J7DEcs
InChI InChI=1S/C13H22O2/c1-3-4-5-6-7-8-9-10-11-12-13(14)15-2/h6-9H,3-5,10-12H2,1-2H3/b7-6+,9-8+
InChIKey NONYXEPWPWDSRY-BLHCBFLLSA-N
Mol Weight 210.32 g/mol
Molecular Formula C13H22O2
Exact Mass 210.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ha7CJ1BiUfQ
Name (5E,7E)-dodeca-5,7-dienoic acid methyl ester
Alternate Name(s) Methyl (5E,7E)-5,7-dodecadienoate Methyl (5E,7E)-dodeca-5,7-dienoate
CAS Registry Number 97827-02-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H22O2
InChI InChI=1S/C13H22O2/c1-3-4-5-6-7-8-9-10-11-12-13(14)15-2/h6-9H,3-5,10-12H2,1-2H3/b7-6+,9-8+
InChIKey NONYXEPWPWDSRY-BLHCBFLLSA-N
Molecular Weight 210.317 g/mol
SMILES C(=O)(OC)CCC\C=C\C=C\CCCC
SPLASH splash10-004u-9520000000-09aea2ce00bc1b5bdfbe
Source of Spectrum J-54-4094-31
Wiley ID 1209633