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(S)-6-Methylheptan-2,6-diol
SpectraBase Compound ID Jtwm7hrFitT
InChI InChI=1S/C8H18O2/c1-7(9)5-4-6-8(2,3)10/h7,9-10H,4-6H2,1-3H3/t7-/m0/s1
InChIKey IOMHEFJNPZANMF-ZETCQYMHSA-N
Mol Weight 146.23 g/mol
Molecular Formula C8H18O2
Exact Mass 146.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HmYd7E1Uedd
Name (S)-6-Methylheptan-2,6-diol
Alternate Name(s) (6S)-2-methyl-2,6-heptanediol
Comments Removed - expert review: contamination (acetone))
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Formula C8H18O2
InChI InChI=1S/C8H18O2/c1-7(9)5-4-6-8(2,3)10/h7,9-10H,4-6H2,1-3H3/t7-/m0/s1
InChIKey IOMHEFJNPZANMF-ZETCQYMHSA-N
Molecular Weight 146.230 g/mol
SMILES OC(CCC[C@@](O)(C)[H])(C)C
SPLASH splash10-0a4i-9000000000-4edd2b5b87bb362156e0
Source of Spectrum SO-0-663-7
Wiley ID 1540896