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

*Links on SpectraBase are not permalinks.
3-Isoquinolinecarboxylic acid, 7-(benzoyloxy)-6-methoxy-1-methyl-, ethyl ester
SpectraBase Compound ID HbXHIFq3DZV
InChI InChI=1S/C21H19NO5/c1-4-26-21(24)17-10-15-11-18(25-3)19(12-16(15)13(2)22-17)27-20(23)14-8-6-5-7-9-14/h5-12H,4H2,1-3H3
InChIKey MGQAKISSSUSNFR-UHFFFAOYSA-N
Mol Weight 365.39 g/mol
Molecular Formula C21H19NO5
Exact Mass 365.126323 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 67uTjzkmwD6
Name 3-Isoquinolinecarboxylic acid, 7-(benzoyloxy)-6-methoxy-1-methyl-, ethyl ester
Alternate Name(s) Ethyl 7-(benzoyloxy)-6-methoxy-1-methyl-3-isoquinolinecarboxylate Ethyl 7-benzoyloxy-6-methoxy-1-methylisoquinoline-3-car-boxylate
CAS Registry Number 115851-95-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H19NO5
InChI InChI=1S/C21H19NO5/c1-4-26-21(24)17-10-15-11-18(25-3)19(12-16(15)13(2)22-17)27-20(23)14-8-6-5-7-9-14/h5-12H,4H2,1-3H3
InChIKey MGQAKISSSUSNFR-UHFFFAOYSA-N
Molecular Weight 365.385 g/mol
SMILES c1(nc(c2c(c1)cc(c(c2)OC(=O)c1ccccc1)OC)C)C(=O)OCC
SPLASH splash10-0a4i-0900000000-b3b69cfa8d76c10cd709
Source of Spectrum KC-1988-1707-2
Wiley ID 1351430