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

*Links on SpectraBase are not permalinks.

2,3(1H)-Isoquinolinedicarboxylic acid, 3,4-dihydro-7-hydroxy-6-methoxy-1-[(4-methoxy-3,6-dioxo-1,4-cyclohexadien-1-yl)methyl]-, dimethyl ester, cis-(.+-.)-

View entire compound with spectra: 1 MS (GC)

2,3(1H)-Isoquinolinedicarboxylic acid, 3,4-dihydro-7-hydroxy-6-methoxy-1-[(4-methoxy-3,6-dioxo-1,4-cyclohexadien-1-yl)methyl]-, dimethyl ester, cis-(.+-.)-
SpectraBase Compound ID E9uQowyzP8E
InChI InChI=1S/C22H23NO9/c1-29-19-8-11-5-15(21(27)31-3)23(22(28)32-4)14(13(11)9-18(19)26)6-12-7-17(25)20(30-2)10-16(12)24/h7-10,14-15,26H,5-6H2,1-4H3/t14-,15-/m1/s1
InChIKey KQFOEMPXLCLVFX-HUUCEWRRSA-N
Mol Weight 445.42 g/mol
Molecular Formula C22H23NO9
Exact Mass 445.137281 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 IAsO7f94Ezd
Name 2,3(1H)-Isoquinolinedicarboxylic acid, 3,4-dihydro-7-hydroxy-6-methoxy-1-[(4-methoxy-3,6-dioxo-1,4-cyclohexadien-1-yl)methyl]-, dimethyl ester, cis-(.+-.)-
CAS Registry Number 113948-32-6
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H23NO9
InChI InChI=1S/C22H23NO9/c1-29-19-8-11-5-15(21(27)31-3)23(22(28)32-4)14(13(11)9-18(19)26)6-12-7-17(25)20(30-2)10-16(12)24/h7-10,14-15,26H,5-6H2,1-4H3/t14-,15-/m1/s1
InChIKey KQFOEMPXLCLVFX-HUUCEWRRSA-N
Molecular Weight 445.424 g/mol
SMILES Oc1cc2[C@](N([C@](Cc2cc1OC)(C(=O)OC)[H])C(=O)OC)(CC=1C(C=C(C(C1)=O)OC)=O)[H]
SPLASH splash10-0006-0190000000-a86c3e2933e565ac10b0
Source of Spectrum J-53-2321-10
Synonyms 1-(4'-Methoxy-2,5-dioxocyclohexa-1',4'-dienyl)-2,3-dimethoxycarbonyl-6-methoxy-hydroxy-1,2,3,4-tetrahydro-isoquinoline Dimethyl (1R,3R)-7-hydroxy-6-methoxy-1-[(4-methoxy-3,6-dioxo-1,4-cyclohexadien-1-yl)methyl]-3,4-dihydro-2,3(1H)-isoquinolinedicarboxylate
Wiley ID 1386319