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1.alpha.-(3-Thienyl)-3.beta.,3a.beta.-epoxy-octahydro-indan-2-one
SpectraBase Compound ID H6zDqfWwnH8
InChI InChI=1S/C13H14O2S/c14-11-10(8-4-6-16-7-8)9-3-1-2-5-13(9)12(11)15-13/h4,6-7,9-10,12H,1-3,5H2/t9?,10-,12+,13-/m0/s1
InChIKey JXTUKNOWQUMWEC-VOBRTKAKSA-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 Gdr0ZNvoJ0p
Name 1.alpha.-(3-Thienyl)-3.beta.,3a.beta.-epoxy-octahydro-indan-2-one
Alternate Name(s) (1aS,3R,7aS)-3-(3-thienyl)hexahydroindeno[1,7a-b]oxiren-2(1aH)-one
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Formula C13H14O2S
InChI InChI=1S/C13H14O2S/c14-11-10(8-4-6-16-7-8)9-3-1-2-5-13(9)12(11)15-13/h4,6-7,9-10,12H,1-3,5H2/t9?,10-,12+,13-/m0/s1
InChIKey JXTUKNOWQUMWEC-VOBRTKAKSA-N
Molecular Weight 234.313 g/mol
SMILES [C@]123[C@@](C(=O)[C@](C3CCCC1)(c1cscc1)[H])(O2)[H]
SPLASH splash10-0002-9300000000-6cc40a8bde0ebd3e4589
Source of Spectrum F-54-14997-19
Wiley ID 810014