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1,1,4,4-tetrachloro-1a,2,3,4-tetrahydro-1a,3-diphenyl-1H-azirino[2,1-e][1,6]benzothiazocine
SpectraBase Compound ID 4KOlkI1RB95
InChI InChI=1S/C23H17Cl4NS/c24-22(25)18(16-9-3-1-4-10-16)15-21(17-11-5-2-6-12-17)23(26,27)28(21)19-13-7-8-14-20(19)29-22/h1-14,18H,15H2
InChIKey ZYCSDXRCJNPPPX-UHFFFAOYSA-N
Mol Weight 481.3 g/mol
Molecular Formula C23H17Cl4NS
Exact Mass 478.983582 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9kNHdIe5fSq
Name 1,1,4,4-tetrachloro-1a,2,3,4-tetrahydro-1a,3-diphenyl-1H-azirino[2,1-e][1,6]benzothiazocine
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Formula C23H17Cl4NS
InChI InChI=1S/C23H17Cl4NS/c24-22(25)18(16-9-3-1-4-10-16)15-21(17-11-5-2-6-12-17)23(26,27)28(21)19-13-7-8-14-20(19)29-22/h1-14,18H,15H2
InChIKey ZYCSDXRCJNPPPX-UHFFFAOYSA-N
Instrument Name VG-ZAB-HS
Ionization Type EI
Literature Reference DOI 10.1002_(SICI)1097-0231(19990730)13_14_1511
Molecular Weight 481.268 g/mol
Reported Formula C23H17NSCl4
SMILES C1(Sc2c(N3C(CC1c1ccccc1)(C3(Cl)Cl)c1ccccc1)cccc2)(Cl)Cl
SPLASH splash10-0fk9-1973000000-46f3bd686b7de1dc4bb1
Source of Spectrum RCM-13-1512-1
Wiley ID 1838956