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(1R,2S,3R)-3-(Hydroxymethyl)-5,5-dimethylhexane-2,4-diol
SpectraBase Compound ID 6hEGJS2VMfK
InChI InChI=1S/C9H20O3/c1-6(11)7(5-10)8(12)9(2,3)4/h6-8,10-12H,5H2,1-4H3/t6-,7+,8?/m0/s1
InChIKey CJLDYMAZKTWCBP-KJFJCRTCSA-N
Mol Weight 176.26 g/mol
Molecular Formula C9H20O3
Exact Mass 176.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7GoNsFs6p
Name (1R,2S,3R)-3-(Hydroxymethyl)-5,5-dimethylhexane-2,4-diol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H20O3
InChI InChI=1S/C9H20O3/c1-6(11)7(5-10)8(12)9(2,3)4/h6-8,10-12H,5H2,1-4H3/t6-,7+,8?/m0/s1
InChIKey CJLDYMAZKTWCBP-KJFJCRTCSA-N
Molecular Weight 176.256 g/mol
SMILES OC([C@](CO)([C@@](O)(C)[H])[H])C(C)(C)C
SPLASH splash10-0a6u-8900000000-ab4ebaa681693543cf41
Source of Spectrum H-76-473-17
Synonyms (2S,3R)-3-(hydroxymethyl)-5,5-dimethyl-2,4-hexanediol
Wiley ID 1172208