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6-Octen-2-ol, 2,6-dimethyl-3-(phenylmethoxy)-8-(phenylthio)-, [R-(E)]-
SpectraBase Compound ID GuL7lOIwAF9
InChI InChI=1S/C23H30O2S/c1-19(16-17-26-21-12-8-5-9-13-21)14-15-22(23(2,3)24)25-18-20-10-6-4-7-11-20/h4-13,16,22,24H,14-15,17-18H2,1-3H3/b19-16+/t22-/m1/s1
InChIKey SAYKVGBQYBBMRD-BENYOCTQSA-N
Mol Weight 370.55 g/mol
Molecular Formula C23H30O2S
Exact Mass 370.196651 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HjezCBYAJYa
Name 6-Octen-2-ol, 2,6-dimethyl-3-(phenylmethoxy)-8-(phenylthio)-, [R-(E)]-
CAS Registry Number 119840-69-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H30O2S
InChI InChI=1S/C23H30O2S/c1-19(16-17-26-21-12-8-5-9-13-21)14-15-22(23(2,3)24)25-18-20-10-6-4-7-11-20/h4-13,16,22,24H,14-15,17-18H2,1-3H3/b19-16+/t22-/m1/s1
InChIKey SAYKVGBQYBBMRD-BENYOCTQSA-N
Molecular Weight 370.551 g/mol
SMILES OC([C@](OCc1ccccc1)(CC\C(=C\CSc1ccccc1)C)[H])(C)C
SPLASH splash10-0006-9000000000-3d9ee1c8ae7daf2869be
Source of Spectrum J-55-5103-77
Synonyms (3R,6E)-3-(benzyloxy)-2,6-dimethyl-8-(phenylsulfanyl)-6-octen-2-ol (3R,6E)-3-(benzyloxy)-2,6-dimethyl-8-(phenylthio)-6-octen-2-ol
Wiley ID 1354549