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N-Ethoxycarbonyl-1-(.alpha.-methylbenzylidene)-6,7-dimethylenedioxy-1,2,3,4-tetrahydroisoquinoline
SpectraBase Compound ID HZW31LxPDDl
InChI InChI=1S/C21H21NO4/c1-3-24-21(23)22-10-9-16-11-18-19(26-13-25-18)12-17(16)20(22)14(2)15-7-5-4-6-8-15/h4-8,11-12H,3,9-10,13H2,1-2H3/b20-14+
InChIKey HAYURFHIINKZSO-XSFVSMFZSA-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 4H59mvyDp2
Name N-Ethoxycarbonyl-1-(.alpha.-methylbenzylidene)-6,7-dimethylenedioxy-1,2,3,4-tetrahydroisoquinoline
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H21NO4
InChI InChI=1S/C21H21NO4/c1-3-24-21(23)22-10-9-16-11-18-19(26-13-25-18)12-17(16)20(22)14(2)15-7-5-4-6-8-15/h4-8,11-12H,3,9-10,13H2,1-2H3/b20-14+
InChIKey HAYURFHIINKZSO-XSFVSMFZSA-N
Molecular Weight 351.402 g/mol
SMILES C(N1\C(c2c(CC1)cc1c(c2)OCO1)=C/(c1ccccc1)C)(=O)OCC
SPLASH splash10-0w4i-0189000000-caf6cf734cb313d842e4
Source of Spectrum F-50-11265-12
Synonyms Ethyl (5E)-5-(1-phenylethylidene)-7,8-dihydro[1,3]dioxolo[4,5-g]isoquinoline-6(5H)-carboxylate
Wiley ID 789516