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3-Nitro-benzimidazolo[2,1-b]benzo[e]thiazepin-5(10H)-one
SpectraBase Compound ID DgV1RCViZ6S
InChI InChI=1S/C15H9N3O3S/c19-14-11-4-2-1-3-9(11)8-22-15-16-12-6-5-10(18(20)21)7-13(12)17(14)15/h1-7H,8H2
InChIKey FFSNCPWBBYLBFG-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 AWjaRLpzSEy
Name 3-Nitro-benzimidazolo[2,1-b]benzo[e]thiazepin-5(10H)-one
Alternate Name(s) 2-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)8-22-15-16-12-6-5-10(18(20)21)7-13(12)17(14)15/h1-7H,8H2
InChIKey FFSNCPWBBYLBFG-UHFFFAOYSA-N
Literature Reference DOI 10.1002/ardp.200700099
Molecular Weight 311.315 g/mol
SMILES c1(ccc2c([n]3c(SCc4c(C3=O)cccc4)n2)c1)[N+](=O)[O-]
SPLASH splash10-0uxr-0930000000-81273de43320fc20153e
Source of Spectrum APC-341-52-3c
Wiley ID 1768873