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Benzoic acid, 2-(1,2-benzisothiazol-3-yl)-, S,S-dioxide
SpectraBase Compound ID 3uDlAJBysAa
InChI InChI=1S/C14H9NO4S/c16-14(17)10-6-2-1-5-9(10)13-11-7-3-4-8-12(11)20(18,19)15-13/h1-8H,(H,16,17)
InChIKey ODTBKQXLXDPLPM-UHFFFAOYSA-N
Mol Weight 287.29 g/mol
Molecular Formula C14H9NO4S
Exact Mass 287.025229 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EIN1VtOvVUF
Name Benzoic acid, 2-(1,2-benzisothiazol-3-yl)-, S,S-dioxide
Alternate Name(s) 1,2-Benzisothiazole, benzoic acid deriv. 2-(1,1-dioxido-1,2-benzisothiazol-3-yl)benzoic acid 3-(o-carboxyphenyl)-1,2-benzo isothiazole 1,1-dioxide
CAS Registry Number 55379-00-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H9NO4S
InChI InChI=1S/C14H9NO4S/c16-14(17)10-6-2-1-5-9(10)13-11-7-3-4-8-12(11)20(18,19)15-13/h1-8H,(H,16,17)
InChIKey ODTBKQXLXDPLPM-UHFFFAOYSA-N
Molecular Weight 287.289 g/mol
SMILES OC(c1c(C2=NS(c3c2cccc3)(=O)=O)cccc1)=O
SPLASH splash10-00fr-4790000000-b0b83dd14cc9239f7743
Source of Spectrum KC-74-2593-18
Wiley ID 1290687