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Methyl 4-(N-(4-chlorobenzyl)sulfamoyl)benzoate
SpectraBase Compound ID A5bkYeTVanp
InChI InChI=1S/C15H14ClNO4S/c1-21-15(18)12-4-8-14(9-5-12)22(19,20)17-10-11-2-6-13(16)7-3-11/h2-9,17H,10H2,1H3
InChIKey YBZGYWYLBHNNSQ-UHFFFAOYSA-N
Mol Weight 339.79 g/mol
Molecular Formula C15H14ClNO4S
Exact Mass 339.033207 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9rnubywg4mW
Name Methyl 4-(N-(4-chlorobenzyl)sulfamoyl)benzoate
Appearance Colorless solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 339.033206805 u
Formula C15H14ClNO4S
InChI InChI=1S/C15H14ClNO4S/c1-21-15(18)12-4-8-14(9-5-12)22(19,20)17-10-11-2-6-13(16)7-3-11/h2-9,17H,10H2,1H3
InChIKey YBZGYWYLBHNNSQ-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/anie.201511385
Molecular Weight 339.793 g/mol
Quality 76
Reported Formula C15H14NO4(35)Cl(32)S
SMILES N(CC1=CC=C(C=C1)Cl)S(C1=CC=C(C=C1)C(=O)OC)(=O)=O
SPLASH splash10-0006-0900000000-9bfc9ca6a0c8a745053a
Source of Spectrum ACI-55-SM44-61 (DOI: 10.1002/anie.201511385)
Thin-Layer Chromatography 0.19 (cHex/EtOAc, 3:1)
Wiley ID 1895187