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4-Methyl-5-endo-(phenylthio)-7-oxabicyclo[2.2.1]heptane-2-exo,3-exo-dimethanol
SpectraBase Compound ID KnEgPkUR9Di
InChI InChI=1S/C15H20O3S/c1-15-12(9-17)11(8-16)13(18-15)7-14(15)19-10-5-3-2-4-6-10/h2-6,11-14,16-17H,7-9H2,1H3/t11-,12-,13-,14?,15+/m0/s1
InChIKey QIUSHZNEIHNNIN-RDPXLKGRSA-N
Mol Weight 280.38 g/mol
Molecular Formula C15H20O3S
Exact Mass 280.113316 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IwVcOJgPaVP
Name 4-Methyl-5-endo-(phenylthio)-7-oxabicyclo[2.2.1]heptane-2-exo,3-exo-dimethanol
CAS Registry Number 117707-08-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H20O3S
InChI InChI=1S/C15H20O3S/c1-15-12(9-17)11(8-16)13(18-15)7-14(15)19-10-5-3-2-4-6-10/h2-6,11-14,16-17H,7-9H2,1H3/t11-,12-,13-,14?,15+/m0/s1
InChIKey QIUSHZNEIHNNIN-RDPXLKGRSA-N
Molecular Weight 280.382 g/mol
SMILES OC[C@]1([C@](CO)([C@]2(O[C@]1(C(C2)Sc1ccccc1)C)[H])[H])[H]
SPLASH splash10-01ox-9320000000-97640c6a2ed1391ebdda
Source of Spectrum J-54-95-15
Synonyms [3-(hydroxymethyl)-1-methyl-6-(phenylsulfanyl)-7-oxabicyclo[2.2.1]hept-2-yl]methanol
Wiley ID 1283771