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2-[3-(4-ethoxy-3-methoxy-phenyl)-4-hydroxy-6,7-dimethoxy-2,3-dihydro-1H-isoquinolin-4-yl]acetic acid ethyl ester
SpectraBase Compound ID 5UD1XgHBZpE
InChI InChI=1S/C24H31NO7/c1-6-31-18-9-8-15(10-19(18)28-3)23-24(27,13-22(26)32-7-2)17-12-21(30-5)20(29-4)11-16(17)14-25-23/h8-12,23,25,27H,6-7,13-14H2,1-5H3
InChIKey DVLBYLOYUIQZDU-UHFFFAOYSA-N
Mol Weight 445.51 g/mol
Molecular Formula C24H31NO7
Exact Mass 445.210052 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CcOwzDeukz5
Name 2-[3-(4-ethoxy-3-methoxy-phenyl)-4-hydroxy-6,7-dimethoxy-2,3-dihydro-1H-isoquinolin-4-yl]acetic acid ethyl ester
CAS Registry Number 131769-73-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H31NO7
InChI InChI=1S/C24H31NO7/c1-6-31-18-9-8-15(10-19(18)28-3)23-24(27,13-22(26)32-7-2)17-12-21(30-5)20(29-4)11-16(17)14-25-23/h8-12,23,25,27H,6-7,13-14H2,1-5H3
InChIKey DVLBYLOYUIQZDU-UHFFFAOYSA-N
Molecular Weight 445.512 g/mol
SMILES N1Cc2c(C(C1c1cc(OC)c(cc1)OCC)(CC(=O)OCC)O)cc(c(c2)OC)OC
SPLASH splash10-003r-0901000000-1989723f62ccadc1e719
Source of Spectrum KC-1990-2659-3
Synonyms Ethyl 2-[3-(4-ethoxy-3-methoxy-phenyl)-4-hydroxy-6,7-dimethoxy-2,3-dihydro-1H-isoquinolin-4-yl]acetate Ethyl 2-[3-(4-ethoxy-3-methoxy-phenyl)-6,7-dimethoxy-4-oxidanyl-2,3-dihydro-1H-isoquinolin-4-yl]ethanoate 2-[3-(4-ethoxy-3-methoxyphenyl)-4-hydroxy-6,7-dimethoxy-2,3-dihydro-1H-isoquinolin-4-yl]acetic acid ethyl ester
Wiley ID 1386364