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

*Links on SpectraBase are not permalinks.
benzenemethanamine, 4-chloro-N-[5-[4-(methylsulfonyl)-1-piperazinyl]-2-nitrophenyl]-
SpectraBase Compound ID GNWEZPcUCpx
InChI InChI=1S/C18H21ClN4O4S/c1-28(26,27)22-10-8-21(9-11-22)16-6-7-18(23(24)25)17(12-16)20-13-14-2-4-15(19)5-3-14/h2-7,12,20H,8-11,13H2,1H3
InChIKey OHJPWGPMXDFSLK-UHFFFAOYSA-N
Mol Weight 424.9 g/mol
Molecular Formula C18H21ClN4O4S
Exact Mass 424.097204 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 6lbk6M14l37
Name (4-chlorobenzyl)-[5-(4-mesylpiperazino)-2-nitro-phenyl]amine
Alternate Name(s) N-[(4-chlorophenyl)methyl]-5-(4-methylsulfonyl-1-piperazinyl)-2-nitroaniline N-[(4-chlorophenyl)methyl]-5-(4-methylsulfonylpiperazin-1-yl)-2-nitro-aniline
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H21ClN4O4S
InChI InChI=1S/C18H21ClN4O4S/c1-28(26,27)22-10-8-21(9-11-22)16-6-7-18(23(24)25)17(12-16)20-13-14-2-4-15(19)5-3-14/h2-7,12,20H,8-11,13H2,1H3
InChIKey OHJPWGPMXDFSLK-UHFFFAOYSA-N
Molecular Weight 424.903 g/mol
SMILES N(c1cc(N2CCN(S(=O)(=O)C)CC2)ccc1N(=O)=O)Cc1ccc(cc1)Cl
SPLASH splash10-0a4i-9200000000-2ee52b1e96b5424720f6
Wiley ID 1458878