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Benzenepropanol, .alpha.,.gamma.,4-trimethyl-, [S-(R*,S*)]-
SpectraBase Compound ID Ee4SSOrzmXM
InChI InChI=1S/C12H18O/c1-9-4-6-12(7-5-9)10(2)8-11(3)13/h4-7,10-11,13H,8H2,1-3H3/t10-,11+/m1/s1
InChIKey OPNHPFQSAFEZGG-MNOVXSKESA-N
Mol Weight 178.27 g/mol
Molecular Formula C12H18O
Exact Mass 178.135765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5bFd0toiSgb
Name Benzenepropanol, .alpha.,.gamma.,4-trimethyl-, [S-(R*,S*)]-
Alternate Name(s) (2S,4R)-4-(4-methylphenyl)-2-pentanol
CAS Registry Number 112239-47-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O
InChI InChI=1S/C12H18O/c1-9-4-6-12(7-5-9)10(2)8-11(3)13/h4-7,10-11,13H,8H2,1-3H3/t10-,11+/m1/s1
InChIKey OPNHPFQSAFEZGG-MNOVXSKESA-N
Molecular Weight 178.275 g/mol
SMILES O[C@](C[C@](c1ccc(cc1)C)(C)[H])(C)[H]
SPLASH splash10-00kb-0900000000-4636d7ef42c47898526d
Source of Spectrum F-43-3006-13
Wiley ID 1174693