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1,3-Dioxolo[4,5-g]isoquinoline-6(5H)-carboxylic acid, 5-[(2-bromophenyl)methylene]-7,8-dihydro-, ethyl ester, (Z)-
SpectraBase Compound ID 83TvfjWpClo
InChI InChI=1S/C20H18BrNO4/c1-2-24-20(23)22-8-7-13-10-18-19(26-12-25-18)11-15(13)17(22)9-14-5-3-4-6-16(14)21/h3-6,9-11H,2,7-8,12H2,1H3/b17-9-
InChIKey HNTBHCWLOYOHIJ-MFOYZWKCSA-N
Mol Weight 416.27 g/mol
Molecular Formula C20H18BrNO4
Exact Mass 415.041921 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID SCbc6q8NR3
Name 1,3-Dioxolo[4,5-g]isoquinoline-6(5H)-carboxylic acid, 5-[(2-bromophenyl)methylene]-7,8-dihydro-, ethyl ester, (Z)-
CAS Registry Number 87201-32-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H18BrNO4
InChI InChI=1S/C20H18BrNO4/c1-2-24-20(23)22-8-7-13-10-18-19(26-12-25-18)11-15(13)17(22)9-14-5-3-4-6-16(14)21/h3-6,9-11H,2,7-8,12H2,1H3/b17-9-
InChIKey HNTBHCWLOYOHIJ-MFOYZWKCSA-N
Molecular Weight 416.271 g/mol
SMILES C(N1\C(c2c(CC1)cc1c(c2)OCO1)=C\c1c(Br)cccc1)(=O)OCC
SPLASH splash10-03dl-6092300000-a0cae63f04da2f2a7424
Source of Spectrum B-36-1064-0
Synonyms Ethyl (5Z)-5-(2-bromobenzylidene)-7,8-dihydro[1,3]dioxolo[4,5-g]isoquinoline-6(5H)-carboxylate Ethyl ester of (Z)-1-(2-bromobenzylidene)-6,7-methylenedioxy-1,2,3,4-tetrahydroisoquinoline-2-carboxylic acid
Wiley ID 1375918