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3-Isoquinolinecarboxylic acid, 6-methoxy-1-methyl-7-(phenylmethoxy)-, ethyl ester

View entire compound with spectra: 1 MS (GC)

3-Isoquinolinecarboxylic acid, 6-methoxy-1-methyl-7-(phenylmethoxy)-, ethyl ester
SpectraBase Compound ID AUlHoyTNBoY
InChI InChI=1S/C21H21NO4/c1-4-25-21(23)18-10-16-11-19(24-3)20(12-17(16)14(2)22-18)26-13-15-8-6-5-7-9-15/h5-12H,4,13H2,1-3H3
InChIKey MAJXMKFCKMLRAG-UHFFFAOYSA-N
Mol Weight 351.4 g/mol
Molecular Formula C21H21NO4
Exact Mass 351.147058 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 88r0BnOMRAv
Name 3-Isoquinolinecarboxylic acid, 6-methoxy-1-methyl-7-(phenylmethoxy)-, ethyl ester
CAS Registry Number 115851-94-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H21NO4
InChI InChI=1S/C21H21NO4/c1-4-25-21(23)18-10-16-11-19(24-3)20(12-17(16)14(2)22-18)26-13-15-8-6-5-7-9-15/h5-12H,4,13H2,1-3H3
InChIKey MAJXMKFCKMLRAG-UHFFFAOYSA-N
Molecular Weight 351.402 g/mol
SMILES c1(nc(c2c(c1)cc(c(c2)OCc1ccccc1)OC)C)C(=O)OCC
SPLASH splash10-0006-9000000000-4863dc29349d1b84117c
Source of Spectrum KC-1988-1708-2
Synonyms Ethyl 7-(benzyloxy)-6-methoxy-1-methyl-3-isoquinolinecarboxylate Ethyl 7-benzyloxy-6-methoxy-1-methylisoquinoline-3-car-boxylate
Wiley ID 1342679