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(3S,5S)-2,6-dimethyl-3,5-heptanediol

View entire compound with spectra: 2 MS (GC)

(3S,5S)-2,6-dimethyl-3,5-heptanediol
SpectraBase Compound ID LyQyEMOO4Me
InChI InChI=1S/C9H20O2/c1-6(2)8(10)5-9(11)7(3)4/h6-11H,5H2,1-4H3/t8-,9-/m0/s1
InChIKey CPHZAYIWNZNICS-IUCAKERBSA-N
Mol Weight 160.26 g/mol
Molecular Formula C9H20O2
Exact Mass 160.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EQIGggugBIt
Name (3S,5S)-2,6-dimethyl-3,5-heptanediol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H20O2
InChI InChI=1S/C9H20O2/c1-6(2)8(10)5-9(11)7(3)4/h6-11H,5H2,1-4H3/t8-,9-/m0/s1
InChIKey CPHZAYIWNZNICS-IUCAKERBSA-N
Molecular Weight 160.257 g/mol
SMILES O[C@@](C[C@@](C(C)C)(O)[H])(C(C)C)[H]
SPLASH splash10-00di-9000000000-cfaf601bbda2464ce910
Source of Spectrum QC-6-755-1
Synonyms (3S,5S)-2,6-dimethylheptane-3,5-diol
Wiley ID 868775