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

*Links on SpectraBase are not permalinks.
Benzoic acid, 4-[(diethylamino)sulfonyl]-, 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl ester
SpectraBase Compound ID BSJAbjkVOba
InChI InChI=1S/C17H22N4O6S/c1-4-19(5-2)28(25,26)15-8-6-14(7-9-15)17(22)27-11-10-20-13(3)18-12-16(20)21(23)24/h6-9,12H,4-5,10-11H2,1-3H3
InChIKey CWPITTPXQHRKFF-UHFFFAOYSA-N
Mol Weight 410.45 g/mol
Molecular Formula C17H22N4O6S
Exact Mass 410.126006 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 4MFCkYcviFW
Name Benzoic acid, 4-[(diethylamino)sulfonyl]-, 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H22N4O6S
InChI InChI=1S/C17H22N4O6S/c1-4-19(5-2)28(25,26)15-8-6-14(7-9-15)17(22)27-11-10-20-13(3)18-12-16(20)21(23)24/h6-9,12H,4-5,10-11H2,1-3H3
InChIKey CWPITTPXQHRKFF-UHFFFAOYSA-N
Molecular Weight 410.445 g/mol
SMILES CCN(S(c1ccc(C(=O)OCC[n]2c(N(=O)=O)cnc2C)cc1)(=O)=O)CC
SPLASH splash10-00ba-7972000000-3e8d56be1949ecfd6e00
Source of Spectrum IY-1-4483-3
Synonyms 4-(diethylsulfamoyl)benzoic acid 2-(2-methyl-5-nitro-1-imidazolyl)ethyl ester 2-(2-Methyl-5-nitroimidazol-1-yl)ethyl 4-(diethylsulfamoyl)benzoate 2-(2-Methyl-5-nitro-imidazol-1-yl)ethyl 4-(diethylsulfamoyl)benzoate
Wiley ID 1652816