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Hexanoic acid, 2,4-dimethyl-, methyl ester, (2DL,4L)-
SpectraBase Compound ID 1sSK1HHwond
InChI InChI=1S/C9H18O2/c1-5-7(2)6-8(3)9(10)11-4/h7-8H,5-6H2,1-4H3
InChIKey HPQMADMQZLWGED-UHFFFAOYSA-N
Mol Weight 158.24 g/mol
Molecular Formula C9H18O2
Exact Mass 158.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EOFnYGqVjJL
Name Hexanoic acid, 2,4-dimethyl-, methyl ester, (2DL,4L)-
CAS Registry Number 14251-45-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H18O2
InChI InChI=1S/C9H18O2/c1-5-7(2)6-8(3)9(10)11-4/h7-8H,5-6H2,1-4H3
InChIKey HPQMADMQZLWGED-UHFFFAOYSA-N
Molecular Weight 158.241 g/mol
SMILES CCC(C)CC(C)C(=O)OC
SPLASH splash10-052r-9100000000-9b531d097dd0c7bada27
Source of Spectrum T-67-1487-0
Synonyms 2,4-Dimethylhexanoic acid methyl ester Methyl 2,4-Dimethylhexanoate Hexanoic acid, 2,4-dimethyl-, methyl ester, [S-(R*,R*)]- Hexanoic acid, 2,4-dimethyl-, methyl ester, (L,L)-(+)-
Wiley ID 12253