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1,1-dichloro-3-(4-methoxyphenyl)-1a-phenyl-1,1a,2,3-tetrahydroazirino[1,2-d]benzo[b][1,4]thiazepine
SpectraBase Compound ID JXiHQrYYrDi
InChI InChI=1S/C23H19Cl2NOS/c1-27-18-13-11-16(12-14-18)21-15-22(17-7-3-2-4-8-17)23(24,25)26(22)19-9-5-6-10-20(19)28-21/h2-14,21H,15H2,1H3
InChIKey XIWVLASAZZARDB-UHFFFAOYSA-N
Mol Weight 428.38 g/mol
Molecular Formula C23H19Cl2NOS
Exact Mass 427.056441 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1sCaFmaVrCB
Name 1,1-dichloro-3-(4-methoxyphenyl)-1a-phenyl-1,1a,2,3-tetrahydroazirino[1,2-d]benzo[b][1,4]thiazepine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H19Cl2NOS
InChI InChI=1S/C23H19Cl2NOS/c1-27-18-13-11-16(12-14-18)21-15-22(17-7-3-2-4-8-17)23(24,25)26(22)19-9-5-6-10-20(19)28-21/h2-14,21H,15H2,1H3
InChIKey XIWVLASAZZARDB-UHFFFAOYSA-N
Instrument Name VG-ZAB-HS
Ionization Type EI
Literature Reference DOI 10.1002_(SICI)1097-0231(19990730)13_14_1506
Molecular Weight 428.377 g/mol
SMILES c1cc2c(cc1)N1C(CC(S2)c2ccc(cc2)OC)(C1(Cl)Cl)c1ccccc1
SPLASH splash10-05fr-0094100000-dc271521a8747addbab0
Source of Spectrum RCM-13-1507-3
Wiley ID 1838952