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2,3,4,5,6,7-HEXAHYDRO-1-(4-NITROPHENYLAMINO)-1H-BENZIMIDAZOLE-2-THIONE
SpectraBase Compound ID 68s8nwll52r
InChI InChI=1S/C13H14N4O2S/c18-17(19)10-7-5-9(6-8-10)15-16-12-4-2-1-3-11(12)14-13(16)20/h5-8,15H,1-4H2,(H,14,20)
InChIKey IDGZBWGJPQQSHC-UHFFFAOYSA-N
Mol Weight 290.34 g/mol
Molecular Formula C13H14N4O2S
Exact Mass 290.083747 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8o8tVXKAGt8
Name 3-(4-nitroanilino)-4,5,6,7-tetrahydro-1H-benzimidazole-2-thione
Alternate Name(s) 3-[(4-nitrophenyl)amino]-4,5,6,7-tetrahydro-1H-benzimidazole-2-thione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14N4O2S
InChI InChI=1S/C13H14N4O2S/c18-17(19)10-7-5-9(6-8-10)15-16-12-4-2-1-3-11(12)14-13(16)20/h5-8,15H,1-4H2,(H,14,20)
InChIKey IDGZBWGJPQQSHC-UHFFFAOYSA-N
Molecular Weight 290.341 g/mol
SMILES N1C2=C(N(C1=S)Nc1ccc(N(=O)=O)cc1)CCCC2
SPLASH splash10-0uel-1950000000-6915cab094677537637c
Source of Spectrum H1-45-698-8
Wiley ID 758379