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3A,4-DIHYDRO-3A-METHYL-1,5-DIPHENYL-5H-[1,2,4]-OXADIAZOLO-[5,4-D]-[1,5]-BENZOTHIAZEPINE
SpectraBase Compound ID GbPOEPbIzzo
InChI InChI=1S/C23H20N2OS/c1-23-16-21(17-10-4-2-5-11-17)27-20-15-9-8-14-19(20)25(23)22(24-26-23)18-12-6-3-7-13-18/h2-15,21H,16H2,1H3/t21-,23-/m0/s1
InChIKey OIWXPMGJNHHCLR-GMAHTHKFSA-N
Mol Weight 372.49 g/mol
Molecular Formula C23H20N2OS
Exact Mass 372.129634 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6ReMZR9de28
Name 3a,4-Dihydroxy-3a-methyl-1,5-diphenyl-5H-[1,2,4]oxazolo[5,4-d][1,5]benzothiazepine
Alternate Name(s) (3aS,5S)-3a-Methyl-1,5-diphenyl-4,5-dihydro-3aH-3-oxa-6-thia-2,10b-diaza-benzo[e]azulene 3a-methyl-1,5-diphenyl-4,5-dihydro-3aH-[1,2,4]oxadiazolo[5,4-d][1,5]benzothiazepine
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Formula C23H20N2OS
InChI InChI=1S/C23H20N2OS/c1-23-16-21(17-10-4-2-5-11-17)27-20-15-9-8-14-19(20)25(23)22(24-26-23)18-12-6-3-7-13-18/h2-15,21H,16H2,1H3/t21-,23-/m0/s1
InChIKey OIWXPMGJNHHCLR-GMAHTHKFSA-N
Molecular Weight 372.486 g/mol
SMILES [C@]12(N(C(=NO2)c2ccccc2)c2c(S[C@@](C1)(c1ccccc1)[H])cccc2)C
SPLASH splash10-00or-2590000000-fcc78b093fa01853a2f7
Source of Spectrum H1-38-2293-3
Wiley ID 756588