For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
Methyl 4-(N-(4-(tert-butyl)benzyl)-N-ethynylsulfamoyl)benzoate
SpectraBase Compound ID F57ejfN0RdL
InChI InChI=1S/C21H23NO4S/c1-6-22(15-16-7-11-18(12-8-16)21(2,3)4)27(24,25)19-13-9-17(10-14-19)20(23)26-5/h1,7-14H,15H2,2-5H3
InChIKey DWOUMEYCKKSYPD-UHFFFAOYSA-N
Mol Weight 385.48 g/mol
Molecular Formula C21H23NO4S
Exact Mass 385.134779 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 9AH6RFMsvET
Name Methyl 4-(N-(4-(tert-butyl)benzyl)-N-ethynylsulfamoyl)benzoate
Appearance Colorless solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 385.134779395 u
Formula C21H23NO4S
InChI InChI=1S/C21H23NO4S/c1-6-22(15-16-7-11-18(12-8-16)21(2,3)4)27(24,25)19-13-9-17(10-14-19)20(23)26-5/h1,7-14H,15H2,2-5H3
InChIKey DWOUMEYCKKSYPD-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/anie.201511385
Molecular Weight 385.478 g/mol
Quality 25
Reported Formula C21H23NO4(32)S
SMILES C(N(CC1=CC=C(C=C1)C(C)(C)C)S(C1=CC=C(C=C1)C(OC)=O)(=O)=O)#C
SPLASH splash10-0002-0900000000-631f343b41fc65ac6a0f
Source of Spectrum ACI-55-SM10-9 (DOI: 10.1002/anie.201511385)
Thin-Layer Chromatography 0.22 (cHex/EtOAc, 10:1)
Wiley ID 1895191