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Methyl 4-(N-benzyl-N-ethynylsulfamoyl)benzoate
SpectraBase Compound ID qqHryPw08w
InChI InChI=1S/C17H15NO4S/c1-3-18(13-14-7-5-4-6-8-14)23(20,21)16-11-9-15(10-12-16)17(19)22-2/h1,4-12H,13H2,2H3
InChIKey RZKVJWJAMAPQHB-UHFFFAOYSA-N
Mol Weight 329.37 g/mol
Molecular Formula C17H15NO4S
Exact Mass 329.072179 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Lm2ub6azXUi
Name Methyl 4-(N-benzyl-N-ethynylsulfamoyl)benzoate
Appearance Colorless solid
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Formula C17H15NO4S
InChI InChI=1S/C17H15NO4S/c1-3-18(13-14-7-5-4-6-8-14)23(20,21)16-11-9-15(10-12-16)17(19)22-2/h1,4-12H,13H2,2H3
InChIKey RZKVJWJAMAPQHB-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/anie.201511385
Molecular Weight 329.370 g/mol
Quality 142
Reported Formula C17H15NO4(32)S
SMILES C(N(CC1=CC=CC=C1)S(C1=CC=C(C=C1)C(OC)=O)(=O)=O)#C
SPLASH splash10-0006-9300000000-4bb5c81d969b3b3a81df
Source of Spectrum ACI-55-SM7-5 (DOI: 10.1002/anie.201511385)
Thin-Layer Chromatography 0.25 (cHex/EtOAc, 5:1)
Wiley ID 1895185