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2-(2-Imino-1,3-benzothiazol-3(2H)-yl)-1-(3-nitrophenyl)ethanone

View entire compound with spectra: 1 MS (GC)

2-(2-Imino-1,3-benzothiazol-3(2H)-yl)-1-(3-nitrophenyl)ethanone
SpectraBase Compound ID DJLG89HOwRo
InChI InChI=1S/C15H11N3O3S/c16-15-17(12-6-1-2-7-14(12)22-15)9-13(19)10-4-3-5-11(8-10)18(20)21/h1-8,16H,9H2
InChIKey VSVCEBIYDAMNIW-UHFFFAOYSA-N
Mol Weight 313.33 g/mol
Molecular Formula C15H11N3O3S
Exact Mass 313.052112 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AsTP8vr6OVh
Name 2-(2-Imino-1,3-benzothiazol-3(2H)-yl)-1-(3-nitrophenyl)ethanone
Alternate Name(s) 2(3H)-Imino-3-(3-nitrobenzoylmethyl)benzothiazole 2-(2-azanylidene-1,3-benzothiazol-3-yl)-1-(3-nitrophenyl)ethanone 2-(2-imino-1,3-benzothiazol-3-yl)-1-(3-nitrophenyl)ethanone
CAS Registry Number 298190-41-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H11N3O3S
InChI InChI=1S/C15H11N3O3S/c16-15-17(12-6-1-2-7-14(12)22-15)9-13(19)10-4-3-5-11(8-10)18(20)21/h1-8,16H,9H2
InChIKey VSVCEBIYDAMNIW-UHFFFAOYSA-N
Molecular Weight 313.331 g/mol
SMILES N=C1N(CC(c2cc(ccc2)N(=O)=O)=O)c2c(S1)cccc2
SPLASH splash10-01q9-9410000000-5154006741c764207453
Wiley ID 1438119