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1,3-Dioxolo[4,5-g]isoquinoline-7-carboxylic acid, 5,6-dihydro-, ethyl ester
SpectraBase Compound ID 4MdgM6G1gD7
InChI InChI=1S/C13H13NO4/c1-2-16-13(15)10-3-8-4-11-12(18-7-17-11)5-9(8)6-14-10/h3-5,14H,2,6-7H2,1H3
InChIKey WZHCSRHHBHIGOW-UHFFFAOYSA-N
Mol Weight 247.25 g/mol
Molecular Formula C13H13NO4
Exact Mass 247.084458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GGnTugGQKm7
Name 1,3-Dioxolo[4,5-g]isoquinoline-7-carboxylic acid, 5,6-dihydro-, ethyl ester
CAS Registry Number 100606-55-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H13NO4
InChI InChI=1S/C13H13NO4/c1-2-16-13(15)10-3-8-4-11-12(18-7-17-11)5-9(8)6-14-10/h3-5,14H,2,6-7H2,1H3
InChIKey WZHCSRHHBHIGOW-UHFFFAOYSA-N
Molecular Weight 247.250 g/mol
SMILES N1Cc2cc3OCOc3cc2C=C1C(=O)OCC
SPLASH splash10-0002-0290000000-769f5cfcf11d5dcde28e
Source of Spectrum J-51-1123-9
Synonyms 3-(ethoxycarbonyl)-6,7-(methylenedioxy)-1,2-dihydroiso-quinoline Ethyl 5,6-dihydro[1,3]dioxolo[4,5-g]isoquinoline-7-carboxylate
Wiley ID 1249937