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3-Isoquinolinecarboxylic acid, 3,4-dihydro-6-methoxy-1-methyl-7-(phenylmethoxy)-, ethyl ester
SpectraBase Compound ID 6zDWMUaCbTV
InChI InChI=1S/C21H23NO4/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/h5-9,11-12,18H,4,10,13H2,1-3H3
InChIKey JTVXCXPFWYRTTP-UHFFFAOYSA-N
Mol Weight 353.42 g/mol
Molecular Formula C21H23NO4
Exact Mass 353.162708 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4xNKivQf9Ka
Name 3-Isoquinolinecarboxylic acid, 3,4-dihydro-6-methoxy-1-methyl-7-(phenylmethoxy)-, ethyl ester
Alternate Name(s) Ethyl 7-(benzyloxy)-6-methoxy-1-methyl-3,4-dihydro-3-isoquinolinecarboxylate Ethyl 7-benzyloxy-3,4-dihydro-6-methoxy-1-methyliso-quinoline-3-carboxylate
CAS Registry Number 115851-96-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H23NO4
InChI InChI=1S/C21H23NO4/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/h5-9,11-12,18H,4,10,13H2,1-3H3
InChIKey JTVXCXPFWYRTTP-UHFFFAOYSA-N
Molecular Weight 353.418 g/mol
SMILES C1(=NC(Cc2cc(c(cc12)OCc1ccccc1)OC)C(=O)OCC)C
SPLASH splash10-0006-9220000000-029bb19230fea160b059
Source of Spectrum KC-1988-1707-2
Wiley ID 1344035