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

*Links on SpectraBase are not permalinks.
4-(p-Bis(2-hydroxyethyl)amino]phenyl-2-(2-hydroxyethyl)-1-isoquinolone monoacetate
SpectraBase Compound ID KXfzCS55d0
InChI InChI=1S/C23H26N2O5/c1-17(28)30-15-12-25-16-22(20-4-2-3-5-21(20)23(25)29)18-6-8-19(9-7-18)24(10-13-26)11-14-27/h2-9,16,26-27H,10-15H2,1H3
InChIKey XJYHKNOYPWWPEG-UHFFFAOYSA-N
Mol Weight 410.47 g/mol
Molecular Formula C23H26N2O5
Exact Mass 410.184172 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 3iMfi9u7jjW
Name 4-(p-Bis(2-hydroxyethyl)amino]phenyl-2-(2-hydroxyethyl)-1-isoquinolone monoacetate
CAS Registry Number 64345-75-1
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H26N2O5
InChI InChI=1S/C23H26N2O5/c1-17(28)30-15-12-25-16-22(20-4-2-3-5-21(20)23(25)29)18-6-8-19(9-7-18)24(10-13-26)11-14-27/h2-9,16,26-27H,10-15H2,1H3
InChIKey XJYHKNOYPWWPEG-UHFFFAOYSA-N
Molecular Weight 410.470 g/mol
SMILES OCCN(CCO)c1ccc(C2=CN(CCOC(=O)C)C(c3c2cccc3)=O)cc1
SPLASH splash10-004i-0009300000-6121340cfe2da88523d7
Source of Spectrum J-43-674-0
Synonyms 2-(4-{4-[bis(2-hydroxyethyl)amino]phenyl}-1-oxo-2(1H)-isoquinolinyl)ethyl acetate
Wiley ID 1373666