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4,8-Tridecadienoic acid, 12-hydroxy-5,9-dimethyl-, methyl ester, (E,E)-(.+-.)-
SpectraBase Compound ID 412Hy3vpwr0
InChI InChI=1S/C16H28O3/c1-13(9-6-10-16(18)19-4)7-5-8-14(2)11-12-15(3)17/h8-9,15,17H,5-7,10-12H2,1-4H3/b13-9+,14-8+
InChIKey YUEFQUNLUPOBEE-UAUIHIKDSA-N
Mol Weight 268.4 g/mol
Molecular Formula C16H28O3
Exact Mass 268.203845 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KrecKrJY7ap
Name 4,8-Tridecadienoic acid, 12-hydroxy-5,9-dimethyl-, methyl ester, (E,E)-(.+-.)-
Alternate Name(s) (4E,8E,12RS)-methyl 12-hydroxy-5,9-dimethyltrideca-4,8-dienoate Methyl (4E,8E)-12-hydroxy-5,9-dimethyl-4,8-tridecadienoate
CAS Registry Number 116315-62-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H28O3
InChI InChI=1S/C16H28O3/c1-13(9-6-10-16(18)19-4)7-5-8-14(2)11-12-15(3)17/h8-9,15,17H,5-7,10-12H2,1-4H3/b13-9+,14-8+
InChIKey YUEFQUNLUPOBEE-UAUIHIKDSA-N
Molecular Weight 268.397 g/mol
SMILES OC(CC\C(=C\CC\C(=C\CCC(=O)OC)C)C)C
SPLASH splash10-0aor-9400000000-4dc56d4bfed0f15247bd
Source of Spectrum KC-1988-57-0
Wiley ID 1272416