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1,2-Pentanediol, 4-(4-methylphenyl)-, [R-(R*,R*)]-
SpectraBase Compound ID BN6SjnkzSl2
InChI InChI=1S/C12H18O2/c1-9-3-5-11(6-4-9)10(2)7-12(14)8-13/h3-6,10,12-14H,7-8H2,1-2H3/t10-,12-/m1/s1
InChIKey UEBFTFJBQHOGJP-ZYHUDNBSSA-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 C30izk0PJN9
Name 1,2-Pentanediol, 4-(4-methylphenyl)-, [R-(R*,R*)]-
Alternate Name(s) (2R,4R)-4-(4-methylphenyl)-1,2-pentanediol 1-Methyl-4-(1R-methyl-3r,4-dihydroxybutyl)-benzene
CAS Registry Number 112239-48-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O2
InChI InChI=1S/C12H18O2/c1-9-3-5-11(6-4-9)10(2)7-12(14)8-13/h3-6,10,12-14H,7-8H2,1-2H3/t10-,12-/m1/s1
InChIKey UEBFTFJBQHOGJP-ZYHUDNBSSA-N
Molecular Weight 194.274 g/mol
SMILES O[C@@](CO)(C[C@](c1ccc(cc1)C)(C)[H])[H]
SPLASH splash10-014i-0900000000-27c9e6aa996913831178
Source of Spectrum F-43-3005-5
Wiley ID 1191113