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7,8a-Dimethyl-3,4,4a,8a-tetrahydro-1H-isoquinoline-2,5-dicarboxylic acid 2-Benzyl ester 5-Ethyl ester
SpectraBase Compound ID JB05FTFcw3Q
InChI InChI=1S/C22H27NO4/c1-4-26-20(24)18-12-16(2)13-22(3)15-23(11-10-19(18)22)21(25)27-14-17-8-6-5-7-9-17/h5-9,12-13,19H,4,10-11,14-15H2,1-3H3
InChIKey BBLPCWWUCNVELY-UHFFFAOYSA-N
Mol Weight 369.46 g/mol
Molecular Formula C22H27NO4
Exact Mass 369.194008 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JRSbsDgH8FZ
Name 7,8a-Dimethyl-3,4,4a,8a-tetrahydro-1H-isoquinoline-2,5-dicarboxylic acid 2-Benzyl ester 5-Ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H27NO4
InChI InChI=1S/C22H27NO4/c1-4-26-20(24)18-12-16(2)13-22(3)15-23(11-10-19(18)22)21(25)27-14-17-8-6-5-7-9-17/h5-9,12-13,19H,4,10-11,14-15H2,1-3H3
InChIKey BBLPCWWUCNVELY-UHFFFAOYSA-N
Molecular Weight 369.461 g/mol
SMILES C1N(CCC2C(=CC(=CC12C)C)C(=O)OCC)C(=O)OCc1ccccc1
SPLASH splash10-0kal-4891000000-5dc1083c9c19f2b31381
Source of Spectrum J-67-1894-18
Synonyms 2-Benzyl 5-ethyl 7,8a-dimethyl-3,4,4a,8a-tetrahydro-2,5(1H)-isoquinolinedicarboxylate
Wiley ID 1569215