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

*Links on SpectraBase are not permalinks.
1-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-2-[[(2-phenylethyl)amino]sulfonyl]-, ethyl ester
SpectraBase Compound ID 1Es4NjCDWN5
InChI InChI=1S/C20H24N2O4S/c1-2-26-20(23)19-18-11-7-6-10-17(18)13-15-22(19)27(24,25)21-14-12-16-8-4-3-5-9-16/h3-11,19,21H,2,12-15H2,1H3
InChIKey ZGQTXJZGBBTEMW-UHFFFAOYSA-N
Mol Weight 388.48 g/mol
Molecular Formula C20H24N2O4S
Exact Mass 388.145678 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 5EO7hVhE2Xj
Name 1-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-2-[[(2-phenylethyl)amino]sulfonyl]-, ethyl ester
CAS Registry Number 130669-91-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H24N2O4S
InChI InChI=1S/C20H24N2O4S/c1-2-26-20(23)19-18-11-7-6-10-17(18)13-15-22(19)27(24,25)21-14-12-16-8-4-3-5-9-16/h3-11,19,21H,2,12-15H2,1H3
InChIKey ZGQTXJZGBBTEMW-UHFFFAOYSA-N
Molecular Weight 388.482 g/mol
SMILES N(S(N1C(c2ccccc2CC1)C(=O)OCC)(=O)=O)CCc1ccccc1
SPLASH splash10-0159-0819000000-a78e013370c5ce855c84
Source of Spectrum J-55-6103-30
Synonyms Ethyl 2-[(phenethylamino)sulfonyl]-1,2,3,4-tetrahydro-isoquinoline-1-carboxylate Ethyl 2-{[(2-phenylethyl)amino]sulfonyl}-1,2,3,4-tetrahydro-1-isoquinolinecarboxylate
Wiley ID 1363730