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3-(Furan-2-ylmethyl-methyl-sulfamoyl)-benzoic acid

View entire compound with spectra: 2 NMR, and 1 MS (GC)

3-(Furan-2-ylmethyl-methyl-sulfamoyl)-benzoic acid
SpectraBase Compound ID 9DjkU3Qd0Qi
InChI InChI=1S/C13H13NO5S/c1-14(9-11-5-3-7-19-11)20(17,18)12-6-2-4-10(8-12)13(15)16/h2-8H,9H2,1H3,(H,15,16)
InChIKey HRHVHJRVZITAJF-UHFFFAOYSA-N
Mol Weight 295.31 g/mol
Molecular Formula C13H13NO5S
Exact Mass 295.051444 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6Nv1VOgCgeM
Name 3-(Furan-2-ylmethyl-methyl-sulfamoyl)-benzoic acid
Alternate Name(s) 3-[2-furanylmethyl(methyl)sulfamoyl]benzoic acid 3-[2-furfuryl(methyl)sulfamoyl]benzoic acid 3-[2-furylmethyl(methyl)sulfamoyl]benzoic acid
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Formula C13H13NO5S
InChI InChI=1S/C13H13NO5S/c1-14(9-11-5-3-7-19-11)20(17,18)12-6-2-4-10(8-12)13(15)16/h2-8H,9H2,1H3,(H,15,16)
InChIKey HRHVHJRVZITAJF-UHFFFAOYSA-N
Molecular Weight 295.309 g/mol
SMILES OC(c1cc(S(N(Cc2occc2)C)(=O)=O)ccc1)=O
SPLASH splash10-0bu0-9700000000-4b9bb12f95f0ae0c849d
Wiley ID 1465719