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(3S,4R,6S)-2,6-dimethyl-7-(phenylsulfonyl)heptane-3,4-diol
SpectraBase Compound ID 52QD611Jk0i
InChI InChI=1S/C15H24O4S/c1-11(2)15(17)14(16)9-12(3)10-20(18,19)13-7-5-4-6-8-13/h4-8,11-12,14-17H,9-10H2,1-3H3/t12-,14+,15-/m0/s1
InChIKey OPUPRQMYPOIANS-CFVMTHIKSA-N
Mol Weight 300.41 g/mol
Molecular Formula C15H24O4S
Exact Mass 300.13953 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8lw3gHPqQCG
Name (3S,4R,6S)-2,6-dimethyl-7-(phenylsulfonyl)heptane-3,4-diol
Alternate Name(s) (3S,4R,6S)-7-(benzenesulfonyl)-2,6-dimethyl-heptane-3,4-diol (3S,4R,6S)-7-besyl-2,6-dimethyl-heptane-3,4-diol
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Formula C15H24O4S
InChI InChI=1S/C15H24O4S/c1-11(2)15(17)14(16)9-12(3)10-20(18,19)13-7-5-4-6-8-13/h4-8,11-12,14-17H,9-10H2,1-3H3/t12-,14+,15-/m0/s1
InChIKey OPUPRQMYPOIANS-CFVMTHIKSA-N
Molecular Weight 300.413 g/mol
SMILES O[C@]([C@@](C[C@@](CS(=O)(=O)c1ccccc1)(C)[H])(O)[H])(C(C)C)[H]
SPLASH splash10-004r-9050000000-f5b15df784fe68a694ba
Source of Spectrum K-2002-569-21
Wiley ID 1580922