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3-[(2-keto-3H-1,3-benzoxazol-6-yl)sulfonyl]propionic acid
SpectraBase Compound ID 5JoYbbLkCTN
InChI InChI=1S/C10H9NO6S/c12-9(13)3-4-18(15,16)6-1-2-7-8(5-6)17-10(14)11-7/h1-2,5H,3-4H2,(H,11,14)(H,12,13)
InChIKey HUHGYAWFBTWHLY-UHFFFAOYSA-N
Mol Weight 271.24 g/mol
Molecular Formula C10H9NO6S
Exact Mass 271.015058 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8NiPVn8JUX1
Name 3-[(2-keto-3H-1,3-benzoxazol-6-yl)sulfonyl]propionic acid
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Formula C10H9NO6S
InChI InChI=1S/C10H9NO6S/c12-9(13)3-4-18(15,16)6-1-2-7-8(5-6)17-10(14)11-7/h1-2,5H,3-4H2,(H,11,14)(H,12,13)
InChIKey HUHGYAWFBTWHLY-UHFFFAOYSA-N
Molecular Weight 271.243 g/mol
SMILES N1C(Oc2cc(S(CCC(=O)O)(=O)=O)ccc12)=O
SPLASH splash10-059t-8910000000-3363019f0e64ef371b75
Synonyms 3-[(2-oxidanylidene-3H-1,3-benzoxazol-6-yl)sulfonyl]propanoic acid 3-[(2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)sulfonyl]propanoic acid 3-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonyl]propanoic acid
Wiley ID 1511057