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

*Links on SpectraBase are not permalinks.
2-Azaniumyl-5-[ethyl(2-hydroxyethyl)amino]-3-methyl-benzenesulfonate
SpectraBase Compound ID BvUOad0hmxC
InChI InChI=1S/2C11H18N2O4S/c2*1-3-13(4-5-14)9-6-8(2)11(12)10(7-9)18(15,16)17/h2*6-7,14H,3-5,12H2,1-2H3,(H,15,16,17)
InChIKey FISXMHKBMWYMPV-UHFFFAOYSA-N
Mol Weight 548.67 g/mol
Molecular Formula C22H36N4O8S2
Exact Mass 548.197456 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 DHV6V6lvWTB
Name 2-Azaniumyl-5-[ethyl(2-hydroxyethyl)amino]-3-methyl-benzenesulfonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H36N4O8S2
InChI InChI=1S/2C11H18N2O4S/c2*1-3-13(4-5-14)9-6-8(2)11(12)10(7-9)18(15,16)17/h2*6-7,14H,3-5,12H2,1-2H3,(H,15,16,17)
InChIKey FISXMHKBMWYMPV-UHFFFAOYSA-N
Literature Reference DOI 10.1002/rcm.764
Molecular Weight 548.670 g/mol
SMILES [NH3+]c1c(cc(N(CCO)CC)cc1S(=O)([O-])=O)C.[NH3+]c1c(cc(N(CCO)CC)cc1S(=O)([O-])=O)C
SPLASH splash10-03di-1900000000-53fd525da6f40abebd0f
Source of Spectrum RCM-16-1627-Fig6(a)
Synonyms 2-Ammonio-5-(ethyl(2-hydroxyethyl)amino)-3-methylbenzenesulfonate
Wiley ID 1819738