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(4S,8R/S)-Methyl-4,8-dimethyldecanoate
SpectraBase Compound ID 19ZLCOFyKLF
InChI InChI=1S/C13H26O2/c1-5-11(2)7-6-8-12(3)9-10-13(14)15-4/h11-12H,5-10H2,1-4H3/t11?,12-/m0/s1
InChIKey NJCSCEWLPPUTAC-KIYNQFGBSA-N
Mol Weight 214.35 g/mol
Molecular Formula C13H26O2
Exact Mass 214.19328 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EClwySHS1RH
Name (4S,8R/S)-Methyl-4,8-dimethyldecanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H26O2
InChI InChI=1S/C13H26O2/c1-5-11(2)7-6-8-12(3)9-10-13(14)15-4/h11-12H,5-10H2,1-4H3/t11?,12-/m0/s1
InChIKey NJCSCEWLPPUTAC-KIYNQFGBSA-N
Literature Reference DOI 10.1002/cjoc.201500334
Molecular Weight 214.349 g/mol
SMILES C(C)C(CCC[C@@](CCC(=O)OC)(C)[H])C
SPLASH splash10-052r-8910000000-624663abe289e560c16a
Source of Spectrum CJC-33-630-13
Synonyms Methyl (4S)-4,8-dimethyldecanoate
Wiley ID 1785164