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2-Nitro-benzimidazolo[2,1-b]benzo[e]thiazepin-5(10H)-one
SpectraBase Compound ID KYiu4FKUJJO
InChI InChI=1S/C15H9N3O3S/c19-14-11-4-2-1-3-9(11)8-22-15-16-12-7-10(18(20)21)5-6-13(12)17(14)15/h1-7H,8H2
InChIKey AKVMAXKCIDNBQM-UHFFFAOYSA-N
Mol Weight 311.32 g/mol
Molecular Formula C15H9N3O3S
Exact Mass 311.036462 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Co1igGuPKhy
Name 2-Nitro-benzimidazolo[2,1-b]benzo[e]thiazepin-5(10H)-one
Alternate Name(s) 3-Nitrobenzo[e]benzo[4,5]imidazo[2,1-b][1,3]thiazepin-12(7H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H9N3O3S
InChI InChI=1S/C15H9N3O3S/c19-14-11-4-2-1-3-9(11)8-22-15-16-12-7-10(18(20)21)5-6-13(12)17(14)15/h1-7H,8H2
InChIKey AKVMAXKCIDNBQM-UHFFFAOYSA-N
Literature Reference DOI 10.1002/ardp.200700099
Molecular Weight 311.315 g/mol
SMILES c1c(cc2c([n]3c(SCc4c(C3=O)cccc4)n2)c1)[N+](=O)[O-]
SPLASH splash10-03di-0920000000-11e13eca01d9ee045723
Source of Spectrum APC-341-53-3g
Wiley ID 1768877