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2-[4-(5-chloro-3-nitrosalicylideneamino)phenyl]benzothiazole
SpectraBase Compound ID 8Bk2QG1JUqe
InChI InChI=1S/C20H12ClN3O3S/c21-14-9-13(19(25)17(10-14)24(26)27)11-22-15-7-5-12(6-8-15)20-23-16-3-1-2-4-18(16)28-20/h1-11,25H/b22-11+
InChIKey ATTHGTZHTNUAKD-SSDVNMTOSA-N
Mol Weight 409.85 g/mol
Molecular Formula C20H12ClN3O3S
Exact Mass 409.02879 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8cGZZwRM0QB
Name 2-[4-(5-chloro-3-nitrosalicylideneamino)phenyl]benzothiazole
Alternate Name(s) 2-((E)-{[4-(1,3-benzothiazol-2-yl)phenyl]imino}methyl)-4-chloro-6-nitrophenol 2-({[4-(1,3-benzothiazol-2-yl)phenyl]imino}methyl)-4-chloro-6-nitrophenol
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Formula C20H12ClN3O3S
InChI InChI=1S/C20H12ClN3O3S/c21-14-9-13(19(25)17(10-14)24(26)27)11-22-15-7-5-12(6-8-15)20-23-16-3-1-2-4-18(16)28-20/h1-11,25H/b22-11+
InChIKey ATTHGTZHTNUAKD-SSDVNMTOSA-N
Molecular Weight 409.847 g/mol
SMILES Oc1c(\C=N\c2ccc(-c3nc4ccccc4s3)cc2)cc(cc1N(=O)=O)Cl
SPLASH splash10-03di-9540000000-592565160f7198f11ef3
Wiley ID 1466921