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6-Octene-2,3-diol, 2,6-dimethyl-8-(phenylthio)-, [R-(E)]-
SpectraBase Compound ID BYqpDOQQQue
InChI InChI=1S/C16H24O2S/c1-13(9-10-15(17)16(2,3)18)11-12-19-14-7-5-4-6-8-14/h4-8,11,15,17-18H,9-10,12H2,1-3H3/b13-11+/t15-/m1/s1
InChIKey HFJQWPDNXQQTSG-HFBDAHEESA-N
Mol Weight 280.43 g/mol
Molecular Formula C16H24O2S
Exact Mass 280.149701 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6vFWUqeA1ZB
Name 6-Octene-2,3-diol, 2,6-dimethyl-8-(phenylthio)-, [R-(E)]-
Alternate Name(s) (3R,6E)-2,6-dimethyl-8-(phenylsulfanyl)-6-octene-2,3-diol (3R,6E)-2,6-dimethyl-8-(phenylthio)-6-octene-2,3-diol
CAS Registry Number 116297-58-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H24O2S
InChI InChI=1S/C16H24O2S/c1-13(9-10-15(17)16(2,3)18)11-12-19-14-7-5-4-6-8-14/h4-8,11,15,17-18H,9-10,12H2,1-3H3/b13-11+/t15-/m1/s1
InChIKey HFJQWPDNXQQTSG-HFBDAHEESA-N
Molecular Weight 280.426 g/mol
SMILES O[C@@](C(O)(C)C)(CC\C(=C\CSc1ccccc1)C)[H]
SPLASH splash10-0udi-0900000000-c7550ae692b7e3a195e9
Source of Spectrum J-55-5103-76
Wiley ID 1283922