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(2S,4S)-2-Methyl-2-phenylpentane-1,4-diol
SpectraBase Compound ID IdKbSLxG4QB
InChI InChI=1S/C12H18O2/c1-10(14)8-12(2,9-13)11-6-4-3-5-7-11/h3-7,10,13-14H,8-9H2,1-2H3/t10-,12+/m0/s1
InChIKey KTCLPCBIRSXYAO-CMPLNLGQSA-N
Mol Weight 194.27 g/mol
Molecular Formula C12H18O2
Exact Mass 194.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BGEiS9mCfCH
Name (2S,4S)-2-Methyl-2-phenylpentane-1,4-diol
Alternate Name(s) (2S,4S)-2-methyl-2-phenyl-1,4-pentanediol (4S)-2-Methyl-2-phenylpentane-1,4-diol
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Formula C12H18O2
InChI InChI=1S/C12H18O2/c1-10(14)8-12(2,9-13)11-6-4-3-5-7-11/h3-7,10,13-14H,8-9H2,1-2H3/t10-,12+/m0/s1
InChIKey KTCLPCBIRSXYAO-CMPLNLGQSA-N
Molecular Weight 194.274 g/mol
SMILES O[C@](C[C@](CO)(c1ccccc1)C)(C)[H]
SPLASH splash10-0159-0900000000-0fa0a71ea03c49a321b0
Source of Spectrum H-87-778-0
Wiley ID 1563701