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3-Isoquinolinecarboxylic acid, 1,2-dihydro-1-oxo-6,8-bis(phenylmethoxy)-, ethyl ester
SpectraBase Compound ID CGrU0rC0ddH
InChI InChI=1S/C26H23NO5/c1-2-30-26(29)22-14-20-13-21(31-16-18-9-5-3-6-10-18)15-23(24(20)25(28)27-22)32-17-19-11-7-4-8-12-19/h3-15H,2,16-17H2,1H3,(H,27,28)
InChIKey QDHVQCCVPQDAGX-UHFFFAOYSA-N
Mol Weight 429.47 g/mol
Molecular Formula C26H23NO5
Exact Mass 429.157623 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G2jj9nltLdV
Name 3-Isoquinolinecarboxylic acid, 1,2-dihydro-1-oxo-6,8-bis(phenylmethoxy)-, ethyl ester
CAS Registry Number 111536-56-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H23NO5
InChI InChI=1S/C26H23NO5/c1-2-30-26(29)22-14-20-13-21(31-16-18-9-5-3-6-10-18)15-23(24(20)25(28)27-22)32-17-19-11-7-4-8-12-19/h3-15H,2,16-17H2,1H3,(H,27,28)
InChIKey QDHVQCCVPQDAGX-UHFFFAOYSA-N
Molecular Weight 429.472 g/mol
SMILES N1C(=Cc2c(C1=O)c(cc(c2)OCc1ccccc1)OCc1ccccc1)C(=O)OCC
SPLASH splash10-0006-9001100000-d48928e59937ab8d673b
Source of Spectrum KC-1987-1397-8
Synonyms Ethyl 6,8-bis(benzyloxy)-1-oxo-1,2-dihydro-3-isoquinolinecarboxylate Ethyl 6,8-dibenzyloxy-1-oxoisoquinoline-3-carboxylate
Wiley ID 1381213