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4,8-Decadienoic acid, 2-(3-hydroxy-1-methylpropyl)-5,9-dimethyl-, methyl ester, [R-[R*,S*-(E)]]-
SpectraBase Compound ID 5WTl3TH0c8l
InChI InChI=1S/C17H30O3/c1-13(2)7-6-8-14(3)9-10-16(17(19)20-5)15(4)11-12-18/h7,9,15-16,18H,6,8,10-12H2,1-5H3/b14-9+/t15-,16+/m0/s1
InChIKey BDCSHUZCFVCGLY-IYSULOHHSA-N
Mol Weight 282.42 g/mol
Molecular Formula C17H30O3
Exact Mass 282.219495 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AJX8Vdxt1im
Name 4,8-Decadienoic acid, 2-(3-hydroxy-1-methylpropyl)-5,9-dimethyl-, methyl ester, [R-[R*,S*-(E)]]-
CAS Registry Number 118586-75-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H30O3
InChI InChI=1S/C17H30O3/c1-13(2)7-6-8-14(3)9-10-16(17(19)20-5)15(4)11-12-18/h7,9,15-16,18H,6,8,10-12H2,1-5H3/b14-9+/t15-,16+/m0/s1
InChIKey BDCSHUZCFVCGLY-IYSULOHHSA-N
Molecular Weight 282.424 g/mol
SMILES OCC[C@@]([C@](C(=O)OC)(C\C=C\(CCC=C(C)C)C)[H])(C)[H]
SPLASH splash10-067l-9310000000-e8b77e63d3860bf9e23c
Source of Spectrum F-44-1483-14
Synonyms Methyl (2R,1'S,4E)-5,9-dimethyl-2-(1-methyl-3-hydroxy-propyl)-4,8-decadienoate Methyl (2R,4E)-2-[(1S)-3-hydroxy-1-methylpropyl]-5,9-dimethyl-4,8-decadienoate
Wiley ID 1286168