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3A,4-DIHYDRO-3A,5-DIMETHYL-1-PHENYL-5H-[1,2,4]-OXADIAZOLO-[5,4-D]-[1,5]-BENZOTHIAZEPINE
SpectraBase Compound ID JbVnCslcZTj
InChI InChI=1S/C18H18N2OS/c1-13-12-18(2)20(15-10-6-7-11-16(15)22-13)17(19-21-18)14-8-4-3-5-9-14/h3-11,13H,12H2,1-2H3/t13-,18+/m1/s1
InChIKey AXDNOEIXABAWJD-ACJLOTCBSA-N
Mol Weight 310.42 g/mol
Molecular Formula C18H18N2OS
Exact Mass 310.113984 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BYDopfuKugP
Name 3a,5-dimethyl-1-phenyl-4,5-dihydro-3aH-[1,2,4]oxadiazolo[5,4-d][1,5]benzothiazepine
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Formula C18H18N2OS
InChI InChI=1S/C18H18N2OS/c1-13-12-18(2)20(15-10-6-7-11-16(15)22-13)17(19-21-18)14-8-4-3-5-9-14/h3-11,13H,12H2,1-2H3/t13-,18+/m1/s1
InChIKey AXDNOEIXABAWJD-ACJLOTCBSA-N
Molecular Weight 310.415 g/mol
SMILES [C@]12(N(C(=NO2)c2ccccc2)c2c(S[C@@](C1)(C)[H])cccc2)C
SPLASH splash10-004i-1190000000-3e98ec6cea31d31dab18
Source of Spectrum H1-38-2293-3
Synonyms 3a,5-dimethyl-1-phenyl-4,5-dihydro-[1,2,4]oxadiazolo[5,4-d][1,5]benzothiazepine
Wiley ID 756589