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2-ACETYL-1-BENZYL-4a-HYDROXYOCTAHYDRO-6-OXO-8a(1H)-ISOQUINOLINECARBOXYLIC ACID, tert-BUTYL ESTER
SpectraBase Compound ID GFDyHb9KNQd
InChI InChI=1S/C23H31NO5/c1-16(25)24-13-12-22(28)15-18(26)10-11-23(22,20(27)29-21(2,3)4)19(24)14-17-8-6-5-7-9-17/h5-9,19,28H,10-15H2,1-4H3
InChIKey VZLVXMKNGTYOCN-UHFFFAOYSA-N
Mol Weight 401.5 g/mol
Molecular Formula C23H31NO5
Exact Mass 401.220223 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 7HTWx2LGMSj
Name 2-ACETYL-1-BENZYL-4a-HYDROXYOCTAHYDRO-6-OXO-8a(1H)-ISOQUINOLINECARBOXYLIC ACID, tert-BUTYL 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 C23H31NO5
InChI InChI=1S/C23H31NO5/c1-16(25)24-13-12-22(28)15-18(26)10-11-23(22,20(27)29-21(2,3)4)19(24)14-17-8-6-5-7-9-17/h5-9,19,28H,10-15H2,1-4H3
InChIKey VZLVXMKNGTYOCN-UHFFFAOYSA-N
Literature Reference Abstract-Chemical Abstracts= 61, 641(1964)
Melting Point 173-175C
Molecular Weight 401.502991
Synonyms ISOQUINOLINECARBOXYLIC ACID, 8A/1H/-, 2-ACETYL-1-BENZYL-4A-HYDROXY- OCTAHYDRO-6-OXO-, TERT-BUTYL ESTER
Technique KBr WAFER