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10-Hydroxy-10-phenylthiomethyltricyclo[4.2.1.1(2,5)]deca-3,7-dien-9-one

View entire compound with spectra: 1 MS (GC)

10-Hydroxy-10-phenylthiomethyltricyclo[4.2.1.1(2,5)]deca-3,7-dien-9-one
SpectraBase Compound ID 8GhFDbCQmiM
InChI InChI=1S/C17H16O2S/c18-16-12-6-7-13(16)15-9-8-14(12)17(15,19)10-20-11-4-2-1-3-5-11/h1-9,12-15,19H,10H2/t12-,13+,14-,15+,17+
InChIKey XPAKZWMYKPETDU-LFPSSSAGSA-N
Mol Weight 284.37 g/mol
Molecular Formula C17H16O2S
Exact Mass 284.087101 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DUpJbI4V69J
Name 10-Hydroxy-10-phenylthiomethyltricyclo[4.2.1.1(2,5)]deca-3,7-dien-9-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H16O2S
InChI InChI=1S/C17H16O2S/c18-16-12-6-7-13(16)15-9-8-14(12)17(15,19)10-20-11-4-2-1-3-5-11/h1-9,12-15,19H,10H2/t12-,13+,14-,15+,17+
InChIKey XPAKZWMYKPETDU-LFPSSSAGSA-N
Molecular Weight 284.373 g/mol
SMILES O[C@]1([C@]2([C@]3(C=C[C@@]([C@@]1(C=C2)[H])(C3=O)[H])[H])[H])CSc1ccccc1
SPLASH splash10-05i0-6900000000-12a6a163bea07011d658
Wiley ID 1479868