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1,1-dichloro-1,1a,2,3-tetrahydro-1a,3-diphenylazirino[2,1-d][1,5]benzothiazepine
SpectraBase Compound ID 4o0KXIulRYg
InChI InChI=1S/C22H17Cl2NS/c23-22(24)21(17-11-5-2-6-12-17)15-20(16-9-3-1-4-10-16)26-19-14-8-7-13-18(19)25(21)22/h1-14,20H,15H2
InChIKey MXRMHKOWACQSPK-UHFFFAOYSA-N
Mol Weight 398.35 g/mol
Molecular Formula C22H17Cl2NS
Exact Mass 397.045876 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4VvkXnxhpIA
Name 1,1-dichloro-1,1a,2,3-tetrahydro-1a,3-diphenylazirino[2,1-d][1,5]benzothiazepine
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Formula C22H17Cl2NS
InChI InChI=1S/C22H17Cl2NS/c23-22(24)21(17-11-5-2-6-12-17)15-20(16-9-3-1-4-10-16)26-19-14-8-7-13-18(19)25(21)22/h1-14,20H,15H2
InChIKey MXRMHKOWACQSPK-UHFFFAOYSA-N
Instrument Name VG-ZAB-HS
Ionization Type EI
Literature Reference DOI 10.1002_(SICI)1097-0231(19990730)13_14_1506
Molecular Weight 398.351 g/mol
Reported Formula C22H17NSCl2
SMILES c1cc2c(cc1)N1C(CC(S2)c2ccccc2)(C1(Cl)Cl)c1ccccc1
SPLASH splash10-004i-7968000000-4b3f61b3552099d594a6
Source of Spectrum RCM-13-1508-1
Wiley ID 1838951