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3-(Benzoylmethylene)-1,2-benzisothiazole-1,1-dioxide N-Acetyl dervative
SpectraBase Compound ID H3xuOhEsjlA
InChI InChI=1S/C17H13NO4S/c1-11(19)12-6-8-13(9-7-12)16(20)10-15-14-4-2-3-5-17(14)23(21,22)18-15/h2-10,18H,1H3/b15-10-
InChIKey CEFONWXUQNXIOD-GDNBJRDFSA-N
Mol Weight 327.35 g/mol
Molecular Formula C17H13NO4S
Exact Mass 327.056529 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1s2VUtWBKAT
Name 3-(Benzoylmethylene)-1,2-benzisothiazole-1,1-dioxide N-Acetyl dervative
Alternate Name(s) (2Z)-2-(2-acetyl-1,1-dioxido-1,2-benzisothiazol-3(2H)-ylidene)-1-phenylethanone 3-(4-acetyl-Benzoylmethylene)-1,2-benzisothiazole-1,1-dioxide
Comments Less than 3 mono-isotopic peaks
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Formula C17H13NO4S
InChI InChI=1S/C17H13NO4S/c1-11(19)12-6-8-13(9-7-12)16(20)10-15-14-4-2-3-5-17(14)23(21,22)18-15/h2-10,18H,1H3/b15-10-
InChIKey CEFONWXUQNXIOD-GDNBJRDFSA-N
Molecular Weight 327.354 g/mol
SMILES N1\C(c2c(S1(=O)=O)cccc2)=C/C(c1ccc(cc1)C(=O)C)=O
SPLASH splash10-00di-0091000000-3d4d9728e084917903ee
Source of Spectrum F-52-3347-8
Wiley ID 795793