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2-benzyl-6,7-dimethoxy-3-(ethoxycarbonyl)-4-hydroxyisoquinolinium chloride
SpectraBase Compound ID 7pp7IhbdcFj
InChI InChI=1S/C21H21NO5.ClH/c1-4-27-21(24)19-20(23)16-11-18(26-3)17(25-2)10-15(16)13-22(19)12-14-8-6-5-7-9-14;/h5-11,13H,4,12H2,1-3H3;1H
InChIKey UFKQJJOKJKYLBP-UHFFFAOYSA-N
Mol Weight 403.86 g/mol
Molecular Formula C21H22ClNO5
Exact Mass 403.118651 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 3a8UHEdA5uY
Name 2-BENZYL-6,7-DIMETHOXY-3-(ETHOXYCARBONYL)-4-HYDROXYISOQUINOLINIUM CHLORIDE
Source of Sample G. Grethe, Hoffmann-La Roche Inc., Nutley, New Jersey
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22ClNO5
InChI InChI=1S/C21H21NO5.ClH/c1-4-27-21(24)19-20(23)16-11-18(26-3)17(25-2)10-15(16)13-22(19)12-14-8-6-5-7-9-14;/h5-11,13H,4,12H2,1-3H3;1H
InChIKey UFKQJJOKJKYLBP-UHFFFAOYSA-N
Literature Reference JOCE 33, 494(1968)
Melting Point 187-188C
Molecular Weight 403.859009
Synonyms ISOQUINOLINIUM CHLORIDE, 2-BENZYL- 3-CARBOXY-6,7-DIMETHOXY-4-HYDROXY-, ETHYL ESTER
Technique KBr WAFER