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(3SR,4SR,5RS)-5-Hydroxy-2,4-dimethylheptyl isobutanoate
SpectraBase Compound ID I5BiF0FISzc
InChI InChI=1S/C13H26O3/c1-7-11(14)10(6)12(8(2)3)16-13(15)9(4)5/h8-12,14H,7H2,1-6H3/t10-,11+,12+/m0/s1
InChIKey WDCSYGZAOLLBMT-QJPTWQEYSA-N
Mol Weight 230.35 g/mol
Molecular Formula C13H26O3
Exact Mass 230.188195 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9YPLy6ySgBz
Name (3SR,4SR,5RS)-5-Hydroxy-2,4-dimethylheptyl isobutanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H26O3
InChI InChI=1S/C13H26O3/c1-7-11(14)10(6)12(8(2)3)16-13(15)9(4)5/h8-12,14H,7H2,1-6H3/t10-,11+,12+/m0/s1
InChIKey WDCSYGZAOLLBMT-QJPTWQEYSA-N
Molecular Weight 230.348 g/mol
SMILES O[C@@]([C@@]([C@](OC(=O)C(C)C)(C(C)C)[H])(C)[H])(CC)[H]
SPLASH splash10-00dr-9000000000-66c7a4972def3b2e6daa
Source of Spectrum SO-0-1089-1
Synonyms (3SR,4SR,5RS)-5-Hydroxy-2,4-dimethylhept-3-yl isobutanoate 5-Hydroxy-2,4-dimethylheptyl 2-methylpropanoate 2-Methylpropanoic acid [(3R,4S,5R)-5-hydroxy-2,4-dimethylheptan-3-yl] ester [(3R,4S,5R)-5-hydroxy-2,4-dimethylheptan-3-yl] 2-methylpropanoate [(1R,2S,3R)-3-hydroxy-1-isopropyl-2-methyl-pentyl] 2-methylpropanoate [(3R,4S,5R)-2,4-dimethyl-5-oxidanyl-heptan-3-yl] 2-methylpropanoate
Wiley ID 874025