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3,3-Diphenyl-5-aza-2-thia-6-oxatricyclo[5.3.1.0(4,11)]undeca-4-ene
SpectraBase Compound ID gEbZ2ZkOVC
InChI InChI=1S/C20H19NOS/c1-3-8-14(9-4-1)20(15-10-5-2-6-11-15)19-18-16(22-21-19)12-7-13-17(18)23-20/h1-6,8-11,16-18H,7,12-13H2/t16-,17+,18-/m1/s1
InChIKey GDZQRCRQAYMOIH-FGTMMUONSA-N
Mol Weight 321.44 g/mol
Molecular Formula C20H19NOS
Exact Mass 321.118735 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 88bFOVD53Cu
Name 3,3-Diphenyl-5-aza-2-thia-6-oxatricyclo[5.3.1.0(4,11)]undeca-4-ene
Alternate Name(s) (4aS,7aR,7bR)-3,3-Diphenyl-4a,5,6,7,7a,7b-hexahydro-3H-1-oxa-4-thia-2-aza-cyclopenta[cd]indene 3,3-Diphenyl-4a,5,6,7,7a,7b-hexahydro-3H-thieno[4,3,2-cd][1,2]benzisoxazole
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Formula C20H19NOS
InChI InChI=1S/C20H19NOS/c1-3-8-14(9-4-1)20(15-10-5-2-6-11-15)19-18-16(22-21-19)12-7-13-17(18)23-20/h1-6,8-11,16-18H,7,12-13H2/t16-,17+,18-/m1/s1
InChIKey GDZQRCRQAYMOIH-FGTMMUONSA-N
Molecular Weight 321.438 g/mol
SMILES C=12C(S[C@@]3([C@]2([C@](CCC3)([H])ON1)[H])[H])(c1ccccc1)c1ccccc1
SPLASH splash10-00xr-2966000000-8687f9d749568c8882bb
Source of Spectrum F-54-14011-14
Wiley ID 809732