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4-Isoquinolineacetic acid, 1,2-dihydro-3,7-dimethoxy-2-methyl-1-oxo-.alpha.-(phenylmethylene)-, ethyl ester, (E)-
SpectraBase Compound ID 1b8YrfjNmrr
InChI InChI=1S/C23H23NO5/c1-5-29-23(26)19(13-15-9-7-6-8-10-15)20-17-12-11-16(27-3)14-18(17)21(25)24(2)22(20)28-4/h6-14H,5H2,1-4H3/b19-13+
InChIKey XWQIGWPQWHYBAH-CPNJWEJPSA-N
Mol Weight 393.44 g/mol
Molecular Formula C23H23NO5
Exact Mass 393.157623 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ej5yLs8jIOt
Name 4-Isoquinolineacetic acid, 1,2-dihydro-3,7-dimethoxy-2-methyl-1-oxo-.alpha.-(phenylmethylene)-, ethyl ester, (E)-
CAS Registry Number 82083-53-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H23NO5
InChI InChI=1S/C23H23NO5/c1-5-29-23(26)19(13-15-9-7-6-8-10-15)20-17-12-11-16(27-3)14-18(17)21(25)24(2)22(20)28-4/h6-14H,5H2,1-4H3/b19-13+
InChIKey XWQIGWPQWHYBAH-CPNJWEJPSA-N
Molecular Weight 393.439 g/mol
SMILES C1(=C(N(C)C(c2c1ccc(OC)c2)=O)OC)\C(C(=O)OCC)=C/c1ccccc1
SPLASH splash10-0006-0019000000-6e7ba6d99ee0c801fb97
Source of Spectrum F-37-4325-0
Synonyms E-ethyl .alpha.-benzylidene-1,2-dihydro-3,7-dimethoxy-2-methyl-1-oxo-4-isoquinolineacetate Ethyl (2E)-2-(3,7-dimethoxy-2-methyl-1-oxo-1,2-dihydro-4-isoquinolinyl)-3-phenyl-2-propenoate
Wiley ID 1366308