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

*Links on SpectraBase are not permalinks.
Benzoic acid, 2-(6,7-dimethoxy-1-isoquinolinyl)-5-methoxy-
SpectraBase Compound ID CPClN9a8w3Z
InChI InChI=1S/C19H17NO5/c1-23-12-4-5-13(15(9-12)19(21)22)18-14-10-17(25-3)16(24-2)8-11(14)6-7-20-18/h4-10H,1-3H3,(H,21,22)
InChIKey IVFUIBMLKMCJOL-UHFFFAOYSA-N
Mol Weight 339.35 g/mol
Molecular Formula C19H17NO5
Exact Mass 339.110673 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 1K71hULHk
Name Benzoic acid, 2-(6,7-dimethoxy-1-isoquinolinyl)-5-methoxy-
CAS Registry Number 83287-04-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H17NO5
InChI InChI=1S/C19H17NO5/c1-23-12-4-5-13(15(9-12)19(21)22)18-14-10-17(25-3)16(24-2)8-11(14)6-7-20-18/h4-10H,1-3H3,(H,21,22)
InChIKey IVFUIBMLKMCJOL-UHFFFAOYSA-N
Molecular Weight 339.347 g/mol
SMILES OC(c1c(-c2c3cc(OC)c(cc3ccn2)OC)ccc(OC)c1)=O
SPLASH splash10-01qd-0091000000-2909306460f1f7d5e900
Source of Spectrum F-39-3265-0
Synonyms 1-(2'-Carboxy-4'-methoxyphenyl)-6,7-dimethoxyisoquinoline 2-(6,7-dimethoxy-1-isoquinolinyl)-5-methoxybenzoic acid
Wiley ID 1334490