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6-Oxabicyclo[3.2.1]octan-7-one, 4-(phenylthio)-, exo-
SpectraBase Compound ID DjLDdTR5CwI
InChI InChI=1S/C13H14O2S/c14-13-9-6-7-12(11(8-9)15-13)16-10-4-2-1-3-5-10/h1-5,9,11-12H,6-8H2
InChIKey MXRUFUDJMVQKPV-UHFFFAOYSA-N
Mol Weight 234.31 g/mol
Molecular Formula C13H14O2S
Exact Mass 234.071451 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IhAroF7xpY9
Name 6-Oxabicyclo[3.2.1]octan-7-one, 4-(phenylthio)-, exo-
CAS Registry Number 64274-07-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14O2S
InChI InChI=1S/C13H14O2S/c14-13-9-6-7-12(11(8-9)15-13)16-10-4-2-1-3-5-10/h1-5,9,11-12H,6-8H2
InChIKey MXRUFUDJMVQKPV-UHFFFAOYSA-N
Molecular Weight 234.313 g/mol
SMILES C1(OC2C(CCC1C2)Sc1ccccc1)=O
SPLASH splash10-0019-3960000000-d729fa634d467e7f7530
Source of Spectrum C-101-3890-0
Synonyms 4-(Phenylsulfanyl)-6-oxabicyclo[3.2.1]octan-7-one 4-Phenylthio-6-oxabicyclo-octan-7-one
Wiley ID 1235838