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6,8-Dithiatricyclo[3.2.1.0(2,4)]octan-7-one, 1-methyl-5-phenyl-, (1.alpha.,2.beta.,4.beta.,5.alpha.)-
SpectraBase Compound ID HYYXvvOljVr
InChI InChI=1S/C13H12OS2/c1-12-9-7-10(9)13(16-12,15-11(12)14)8-5-3-2-4-6-8/h2-6,9-10H,7H2,1H3/t9?,10?,12-,13+/m0/s1
InChIKey YMMHUJOUAQVDHF-XYJRBWASSA-N
Mol Weight 248.36 g/mol
Molecular Formula C13H12OS2
Exact Mass 248.032957 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1GGxcdu1rh6
Name 6,8-Dithiatricyclo[3.2.1.0(2,4)]octan-7-one, 1-methyl-5-phenyl-, (1.alpha.,2.beta.,4.beta.,5.alpha.)-
CAS Registry Number 68145-11-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H12OS2
InChI InChI=1S/C13H12OS2/c1-12-9-7-10(9)13(16-12,15-11(12)14)8-5-3-2-4-6-8/h2-6,9-10H,7H2,1H3/t9?,10?,12-,13+/m0/s1
InChIKey YMMHUJOUAQVDHF-XYJRBWASSA-N
Molecular Weight 248.358 g/mol
SMILES [C@]12(C3C([C@@](S2)(C)C(S1)=O)C3)c1ccccc1
SPLASH splash10-0079-1900000000-7c0b7efb7c555a671a9f
Source of Spectrum K-111-3043-0
Synonyms 1-Methyl-5-phenyl-6,8-dithia-exo-tricyclo[3.2.1.0(2,4)]octan-7-one 1-Methyl-5-phenyl-6,8-dithiatricyclo[3.2.1.0(2,4)]octan-7-one
Wiley ID 1250844