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Methyl 4-(N-(4-methylbenzyl)sulfamoyl)benzoate
SpectraBase Compound ID KchiMuEorEH
InChI InChI=1S/C16H17NO4S/c1-12-3-5-13(6-4-12)11-17-22(19,20)15-9-7-14(8-10-15)16(18)21-2/h3-10,17H,11H2,1-2H3
InChIKey DDOOUJYHOHISIV-UHFFFAOYSA-N
Mol Weight 319.38 g/mol
Molecular Formula C16H17NO4S
Exact Mass 319.087829 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Y1zlO69ivW
Name Methyl 4-(N-(4-methylbenzyl)sulfamoyl)benzoate
Appearance Colorless solid
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Exact Mass 319.087829201 u
Formula C16H17NO4S
InChI InChI=1S/C16H17NO4S/c1-12-3-5-13(6-4-12)11-17-22(19,20)15-9-7-14(8-10-15)16(18)21-2/h3-10,17H,11H2,1-2H3
InChIKey DDOOUJYHOHISIV-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/anie.201511385
Molecular Weight 319.375 g/mol
Quality 175
Reported Formula C16H17NO4(32)S
SMILES N(CC=1C=CC(=CC1)C)S(C1=CC=C(C=C1)C(OC)=O)(=O)=O
SPLASH splash10-00di-1900000000-2513111f7a3e69122aed
Source of Spectrum ACI-55-SM49-S5 (DOI: 10.1002/anie.201511385)
Thin-Layer Chromatography 0.28 (cHex/EtOAc, 3:1)
Wiley ID 1895195