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4-Amino-3-[(4-fluoroanilino)-oxomethyl]-5-isothiazolecarboxylic acid
SpectraBase Compound ID CxryAapWO9E
InChI InChI=1S/C11H8FN3O3S/c12-5-1-3-6(4-2-5)14-10(16)8-7(13)9(11(17)18)19-15-8/h1-4H,13H2,(H,14,16)(H,17,18)
InChIKey OECNFLIHPDVGAF-UHFFFAOYSA-N
Mol Weight 281.26 g/mol
Molecular Formula C11H8FN3O3S
Exact Mass 281.02704 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H2Co0D5ZAAa
Name 4-Amino-3-[(4-fluoroanilino)-oxomethyl]-5-isothiazolecarboxylic acid
Alternate Name(s) 4-Amino-3-[(4-fluorophenyl)carbamoyl]-1,2-thiazole-5-carboxylic acid 4-Amino-3-[(4-fluorophenyl)carbamoyl]isothiazole-5-carboxylic acid 4-Azanyl-3-[(4-fluorophenyl)carbamoyl]-1,2-thiazole-5-carboxylic acid Isothiazole-5-carboxylic acid, 4-amino-3-(4-fluorophenylcarbamoyl)-
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Formula C11H8FN3O3S
InChI InChI=1S/C11H8FN3O3S/c12-5-1-3-6(4-2-5)14-10(16)8-7(13)9(11(17)18)19-15-8/h1-4H,13H2,(H,14,16)(H,17,18)
InChIKey OECNFLIHPDVGAF-UHFFFAOYSA-N
Molecular Weight 281.261 g/mol
SMILES N(C(c1c(c(C(=O)O)sn1)N)=O)c1ccc(cc1)F
SPLASH splash10-00ea-9730000000-519f290d019d6ab4eadd
Wiley ID 1446865