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1,3-Dioxolo[4,5-g]isoquinoline-6(5H)-carboxylic acid, 5-cyano-7,8-dihydro-, ethyl ester
SpectraBase Compound ID 19xPqnhrm54
InChI InChI=1S/C14H14N2O4/c1-2-18-14(17)16-4-3-9-5-12-13(20-8-19-12)6-10(9)11(16)7-15/h5-6,11H,2-4,8H2,1H3
InChIKey MUBQLSFBJMMPNR-UHFFFAOYSA-N
Mol Weight 274.28 g/mol
Molecular Formula C14H14N2O4
Exact Mass 274.095357 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1NufAT8kmJj
Name 1,3-Dioxolo[4,5-g]isoquinoline-6(5H)-carboxylic acid, 5-cyano-7,8-dihydro-, ethyl ester
Alternate Name(s) 2-Ethoxycarbonyl-6,7-methylenedioxy-1,2,3,4-tetrahydroisoquinaldonitrile Ethyl 5-cyano-7,8-dihydro[1,3]dioxolo[4,5-g]isoquinoline-6(5H)-carboxylate
CAS Registry Number 64362-56-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H14N2O4
InChI InChI=1S/C14H14N2O4/c1-2-18-14(17)16-4-3-9-5-12-13(20-8-19-12)6-10(9)11(16)7-15/h5-6,11H,2-4,8H2,1H3
InChIKey MUBQLSFBJMMPNR-UHFFFAOYSA-N
Molecular Weight 274.276 g/mol
SMILES C1(N(CCc2cc3OCOc3cc12)C(=O)OCC)C#N
SPLASH splash10-00di-0590000000-2f98733826eedd480114
Source of Spectrum I-55-169-0
Wiley ID 1277936