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Bicyclo[3.2.0]hept-2-en-6-one, 7-(phenylthio)-, (1.alpha.,5.alpha.,7.beta.)-(.+-.)-
SpectraBase Compound ID At744AjdV60
InChI InChI=1S/C13H12OS/c14-12-10-7-4-8-11(10)13(12)15-9-5-2-1-3-6-9/h1-6,8,10-11,13H,7H2/t10-,11+,13+/m1/s1
InChIKey CRPULFVUVYYWLO-MDZLAQPJSA-N
Mol Weight 216.3 g/mol
Molecular Formula C13H12OS
Exact Mass 216.060886 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B0j1FDliqkr
Name Bicyclo[3.2.0]hept-2-en-6-one, 7-(phenylthio)-, (1.alpha.,5.alpha.,7.beta.)-(.+-.)-
Alternate Name(s) (1S,5R,7S)-7-(phenylsulfanyl)bicyclo[3.2.0]hept-2-en-6-one endo-7-(phenylthio)bicyclo[3.2.0]hept-2-en-6-one exo-7-(phenylthio)bicyclo[3.2.0]hept-2-en-6-one
CAS Registry Number 76822-08-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H12OS
InChI InChI=1S/C13H12OS/c14-12-10-7-4-8-11(10)13(12)15-9-5-2-1-3-6-9/h1-6,8,10-11,13H,7H2/t10-,11+,13+/m1/s1
InChIKey CRPULFVUVYYWLO-MDZLAQPJSA-N
Molecular Weight 216.298 g/mol
SMILES [C@@]1(C(=O)[C@]2([C@@]1(C=CC2)[H])[H])(Sc1ccccc1)[H]
SPLASH splash10-0596-9700000000-2c36e284502e4aa7631e
Source of Spectrum J-49-4668-0
Wiley ID 1215667