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(2R,3R)-3-Methylheptane-1,2,3-triol (7c) and (2R,3S)-3-Methylheptane-1,2,3-triol (8c)
SpectraBase Compound ID Jo3rnYfCMqT
InChI InChI=1S/C8H18O3/c1-3-4-5-8(2,11)7(10)6-9/h7,9-11H,3-6H2,1-2H3/t7-,8?/m1/s1
InChIKey SEZHSEYTQUKXPR-GVHYBUMESA-N
Mol Weight 162.23 g/mol
Molecular Formula C8H18O3
Exact Mass 162.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4cngWg0YCXY
Name (2R,3R)-3-Methylheptane-1,2,3-triol (7c) and (2R,3S)-3-Methylheptane-1,2,3-triol (8c)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H18O3
InChI InChI=1S/C8H18O3/c1-3-4-5-8(2,11)7(10)6-9/h7,9-11H,3-6H2,1-2H3/t7-,8?/m1/s1
InChIKey SEZHSEYTQUKXPR-GVHYBUMESA-N
Literature Reference DOI 10.1002/prac.19913330610
Molecular Weight 162.229 g/mol
SMILES O[C@@](C(C)(O)CCCC)(CO)[H]
SPLASH splash10-0k92-9400000000-853fd10186c77c2d63a1
Source of Spectrum JF-333-885-7c+8c
Synonyms (2R)-3-methylheptane-1,2,3-triol
Wiley ID 1789699