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(3R,4S)-2,2-dimethyl-4-(phenylthio)heptane-1,3-diol
SpectraBase Compound ID 2dcbqUAJIYh
InChI InChI=1S/C15H24O2S/c1-4-8-13(14(17)15(2,3)11-16)18-12-9-6-5-7-10-12/h5-7,9-10,13-14,16-17H,4,8,11H2,1-3H3/t13-,14-/m0/s1
InChIKey CAWCJCKRWFOCRS-KBPBESRZSA-N
Mol Weight 268.41 g/mol
Molecular Formula C15H24O2S
Exact Mass 268.149701 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LWOSnYx32TB
Name (3R,4S)-2,2-dimethyl-4-(phenylthio)heptane-1,3-diol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H24O2S
InChI InChI=1S/C15H24O2S/c1-4-8-13(14(17)15(2,3)11-16)18-12-9-6-5-7-10-12/h5-7,9-10,13-14,16-17H,4,8,11H2,1-3H3/t13-,14-/m0/s1
InChIKey CAWCJCKRWFOCRS-KBPBESRZSA-N
Molecular Weight 268.415 g/mol
SMILES O[C@](C(CO)(C)C)([C@@](Sc1ccccc1)(CCC)[H])[H]
SPLASH splash10-014i-0940000000-cbfddd433cbc0280f96b
Source of Spectrum K-2001-2989-16
Synonyms (3R,4S)-2,2-dimethyl-4-phenylsulfanyl-heptane-1,3-diol
Wiley ID 1580070