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1,4-Epithiocyclopenta[c]thiopyran-3(1H)-one, 4,4a,7,7a-tetrahydro-7-(1-methylethylidene)-1-phenyl-, (1.alpha.,4.alpha.,4a.beta.,7a.beta.)-
SpectraBase Compound ID Rede0kyVbl
InChI InChI=1S/C17H16OS2/c1-10(2)12-8-9-13-14(12)17(11-6-4-3-5-7-11)19-15(13)16(18)20-17/h3-9,13-15H,1-2H3/t13-,14+,15-,17-/m0/s1
InChIKey SLQSZHPQZKARTO-IVSAIRAKSA-N
Mol Weight 300.43 g/mol
Molecular Formula C17H16OS2
Exact Mass 300.064257 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID mnhk9m31Ba
Name 1,4-Epithiocyclopenta[c]thiopyran-3(1H)-one, 4,4a,7,7a-tetrahydro-7-(1-methylethylidene)-1-phenyl-, (1.alpha.,4.alpha.,4a.beta.,7a.beta.)-
Alternate Name(s) (1S,2S,6S,7R)-5-(1-methylethylidene)-7-phenyl-8,10-dithiatricyclo[5.2.1.0(2,6)]dec-3-en-9-one 4-Unsubstituted product
CAS Registry Number 99315-12-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H16OS2
InChI InChI=1S/C17H16OS2/c1-10(2)12-8-9-13-14(12)17(11-6-4-3-5-7-11)19-15(13)16(18)20-17/h3-9,13-15H,1-2H3/t13-,14+,15-,17-/m0/s1
InChIKey SLQSZHPQZKARTO-IVSAIRAKSA-N
Molecular Weight 300.434 g/mol
SMILES [C@@]12(SC(=O)[C@](S2)([H])[C@@]2([C@]1(C(C=C2)=C(C)C)[H])[H])c1ccccc1
SPLASH splash10-00dl-0901000000-a65cbe820fafcc565759
Source of Spectrum KC-1985-1247-11
Wiley ID 1302855