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4,8-Undecadienoic acid, 2-(3-hydroxy-1-methylpropyl)-5,9-dimethyl-, methyl ester, [R-[R*,S*-(E,Z)]]-
SpectraBase Compound ID 1kheGLQiPGB
InChI InChI=1S/C18H32O3/c1-6-14(2)8-7-9-15(3)10-11-17(18(20)21-5)16(4)12-13-19/h8,10,16-17,19H,6-7,9,11-13H2,1-5H3/b14-8-,15-10+/t16-,17+/m0/s1
InChIKey WBEWTIHBYZGADU-MGZMACPBSA-N
Mol Weight 296.5 g/mol
Molecular Formula C18H32O3
Exact Mass 296.235145 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4n2C3hRi875
Name 4,8-Undecadienoic acid, 2-(3-hydroxy-1-methylpropyl)-5,9-dimethyl-, methyl ester, [R-[R*,S*-(E,Z)]]-
CAS Registry Number 118512-41-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H32O3
InChI InChI=1S/C18H32O3/c1-6-14(2)8-7-9-15(3)10-11-17(18(20)21-5)16(4)12-13-19/h8,10,16-17,19H,6-7,9,11-13H2,1-5H3/b14-8-,15-10+/t16-,17+/m0/s1
InChIKey WBEWTIHBYZGADU-MGZMACPBSA-N
Molecular Weight 296.451 g/mol
SMILES OCC[C@@]([C@](C(=O)OC)(C\C=C\(CC\C=C/(CC)C)C)[H])(C)[H]
SPLASH splash10-0536-9100000000-cfd54d34c9d098864aff
Source of Spectrum F-44-1483-14
Synonyms Methyl (2R,4E,8Z)-2-[(1S)-3-hydroxy-1-methylpropyl]-5,9-dimethyl-4,8-undecadienoate Methyl(2R,1'S,4E,8Z)-5,9-dimethyl-2-(1-methyl-3-hydroxy-propyl)-4,8-undecadienoate
Wiley ID 1299411