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Methyl 4-(N-(furan-2-ylmethyl)sulfamoyl)benzoate
SpectraBase Compound ID 8omEuKfjntd
InChI InChI=1S/C13H13NO5S/c1-18-13(15)11-2-4-12(5-3-11)20(16,17)14-8-10-6-7-19-9-10/h2-7,9,14H,8H2,1H3
InChIKey LKHBWCMWIXFKJN-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 atj7P4SjQw
Name Methyl 4-(N-(furan-2-ylmethyl)sulfamoyl)benzoate
Appearance Colorless solid
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Exact Mass 295.051443692 u
Formula C13H13NO5S
InChI InChI=1S/C13H13NO5S/c1-18-13(15)11-2-4-12(5-3-11)20(16,17)14-8-10-6-7-19-9-10/h2-7,9,14H,8H2,1H3
InChIKey LKHBWCMWIXFKJN-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/anie.201511385
Quality 148
Reported Formula C13H13NO5(32)S
SMILES N(CC1=COC=C1)S(C1=CC=C(C=C1)C(OC)=O)(=O)=O
SPLASH splash10-0002-9000000000-d60afbbef658b7223b4c
Source of Spectrum ACI-55-SM48-S2 (DOI: 10.1002/anie.201511385)
Thin-Layer Chromatography 0.23 (cHex/EtOAc, 3:1)
Wiley ID 1895194