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1,4-Hexanediol, 2-methyl-6-phenyl-, [S-(R*,R*)]-
SpectraBase Compound ID 704btRwvnRB
InChI InChI=1S/C13H20O2/c1-11(10-14)9-13(15)8-7-12-5-3-2-4-6-12/h2-6,11,13-15H,7-10H2,1H3/t11-,13-/m0/s1
InChIKey XGJYDCLWKSURAR-AAEUAGOBSA-N
Mol Weight 208.3 g/mol
Molecular Formula C13H20O2
Exact Mass 208.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 683y4lqKyIp
Name 1,4-Hexanediol, 2-methyl-6-phenyl-, [S-(R*,R*)]-
Alternate Name(s) (2S,4R)- and (2S,4S)-2-methyl-6-phenyl-1,4-hexanediols (2S,4S)-2-methyl-6-phenyl-1,4-hexanediol
CAS Registry Number 89968-80-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20O2
InChI InChI=1S/C13H20O2/c1-11(10-14)9-13(15)8-7-12-5-3-2-4-6-12/h2-6,11,13-15H,7-10H2,1H3/t11-,13-/m0/s1
InChIKey XGJYDCLWKSURAR-AAEUAGOBSA-N
Molecular Weight 208.301 g/mol
SMILES OC[C@](C[C@](CCc1ccccc1)(O)[H])(C)[H]
SPLASH splash10-0006-9500000000-4f002e76f723fb76322a
Source of Spectrum H-67-298-0
Wiley ID 1207087