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N'-(Thiazol-2'-yl)-N(3)-[(4"-nitrobenzylidene)imino]-malonamide
SpectraBase Compound ID 1Kip3Z0sniR
InChI InChI=1S/C13H11N5O4S/c19-11(16-13-14-5-6-23-13)7-12(20)17-15-8-9-1-3-10(4-2-9)18(21)22/h1-6,8H,7H2,(H,17,20)(H,14,16,19)/b15-8+
InChIKey PAPGZEGUARKBIK-OVCLIPMQSA-N
Mol Weight 333.32 g/mol
Molecular Formula C13H11N5O4S
Exact Mass 333.053175 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 32gpr1mjcUj
Name N'-(Thiazol-2'-yl)-N(3)-[(4"-nitrobenzylidene)imino]-malonamide
Alternate Name(s) N'-[(E)-(4-nitrophenyl)methylideneamino]-N-(2-thiazolyl)propanediamide N'-[(E)-(4-nitrophenyl)methyleneamino]-N-thiazol-2-yl-propanediamide N'-[(E)-(4-nitrophenyl)methylideneamino]-N-(1,3-thiazol-2-yl)propanediamide
Comments Less than 3 mono-isotopic peaks
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Formula C13H11N5O4S
InChI InChI=1S/C13H11N5O4S/c19-11(16-13-14-5-6-23-13)7-12(20)17-15-8-9-1-3-10(4-2-9)18(21)22/h1-6,8H,7H2,(H,17,20)(H,14,16,19)/b15-8+
InChIKey PAPGZEGUARKBIK-OVCLIPMQSA-N
Molecular Weight 333.322 g/mol
SMILES N(C(CC(Nc1nccs1)=O)=O)\N=C\c1ccc(N(=O)=O)cc1
SPLASH splash10-0006-0900000000-f748829c4456fd235a57
Source of Spectrum AH-139-1089-12c
Wiley ID 1695843