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u-4-Methylhexane-1,3-diol
SpectraBase Compound ID ARcFQR54wm5
InChI InChI=1S/C7H16O2/c1-3-6(2)7(9)4-5-8/h6-9H,3-5H2,1-2H3/t6-,7+/m1/s1
InChIKey PESGUTZAXXQWJP-RQJHMYQMSA-N
Mol Weight 132.2 g/mol
Molecular Formula C7H16O2
Exact Mass 132.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 41k9uXlBk6Q
Name u-4-Methylhexane-1,3-diol
Alternate Name(s) (3S,4R)-4-methylhexane-1,3-diol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H16O2
InChI InChI=1S/C7H16O2/c1-3-6(2)7(9)4-5-8/h6-9H,3-5H2,1-2H3/t6-,7+/m1/s1
InChIKey PESGUTZAXXQWJP-RQJHMYQMSA-N
Literature Reference DOI 10.1002/cbdv.200690103
Molecular Weight 132.203 g/mol
SMILES O[C@@](CCO)([C@@](CC)(C)[H])[H]
SPLASH splash10-056s-9000000000-0808dd1651ac20b26e82
Source of Spectrum CBD-3-946-u_21
Wiley ID 1793328