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2-ACETYL-2,3,4,6,7,8-HEXAHYDRO-1-(p-METHOXYBENZYL)-6-OXO-3a(1H)-ISOQUINOLINECARBOXYLIC ACID, METHYL ESTER
SpectraBase Compound ID Ig6MMupj0Aq
InChI InChI=1S/C21H25NO5/c1-14(23)22-11-9-16-13-17(24)8-10-21(16,20(25)27-3)19(22)12-15-4-6-18(26-2)7-5-15/h4-7,13,19H,8-12H2,1-3H3
InChIKey BKUDPKIYXPAFJI-UHFFFAOYSA-N
Mol Weight 371.43 g/mol
Molecular Formula C21H25NO5
Exact Mass 371.173273 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 7aUYOOrwErG
Name 2-ACETYL-2,3,4,6,7,8-HEXAHYDRO-1-(p-METHOXYBENZYL)-6-OXO-3a(1H)-ISOQUINOLINECARBOXYLIC ACID, METHYL ESTER
Source of Sample H. G. O. Becker, Technische Hochschule, Leuna-Merseburg, Germany
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H25NO5
InChI InChI=1S/C21H25NO5/c1-14(23)22-11-9-16-13-17(24)8-10-21(16,20(25)27-3)19(22)12-15-4-6-18(26-2)7-5-15/h4-7,13,19H,8-12H2,1-3H3
InChIKey BKUDPKIYXPAFJI-UHFFFAOYSA-N
Literature Reference Abstract-Chemical Abstracts= 61, 641(1964)
Melting Point 133-135C
Molecular Weight 371.433014
Synonyms ISOQUINOLINECARBOXYLIC ACID, 8A/1H/-, 2-ACETYL-2,3,4,6,7,8-HEXA- HYDRO-1-/P-METHOXYBENZYL/-6-OXO-, METHYL ESTER
Technique KBr WAFER