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trans-1-Hydroxy-2-(phenylthio)methylbicyclo[3.3.0(12,5)]octane
SpectraBase Compound ID 5X18rd0IlW6
InChI InChI=1S/C15H20OS/c16-15-10-4-5-12(15)8-9-13(15)11-17-14-6-2-1-3-7-14/h1-3,6-7,12-13,16H,4-5,8-11H2/t12?,13-,15+/m0/s1
InChIKey JWHCOCDVBNFXSA-RGPPAHDHSA-N
Mol Weight 248.38 g/mol
Molecular Formula C15H20OS
Exact Mass 248.123486 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4ZODyL6QFM
Name trans-1-Hydroxy-2-(phenylthio)methylbicyclo[3.3.0(12,5)]octane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H20OS
InChI InChI=1S/C15H20OS/c16-15-10-4-5-12(15)8-9-13(15)11-17-14-6-2-1-3-7-14/h1-3,6-7,12-13,16H,4-5,8-11H2/t12?,13-,15+/m0/s1
InChIKey JWHCOCDVBNFXSA-RGPPAHDHSA-N
Molecular Weight 248.384 g/mol
SMILES O[C@@]12[C@](CSc3ccccc3)(CCC1CCC2)[H]
SPLASH splash10-01vw-6930000000-871220e958a931f5b685
Source of Spectrum J-59-1443-19
Synonyms (3R,3aR)-3-(phenylsulfanylmethyl)-2,3,4,5,6,6a-hexahydro-1H-pentalen-3a-ol
Wiley ID 1251241