For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
2-METHYL-4-CARBOMETHOXY-5-CYANO-7-KETO-HYDROISOQUINOLINE
SpectraBase Compound ID I35RoisSmFo
InChI InChI=1S/C13H16N2O3/c1-15-6-9-4-10(16)3-8(5-14)12(9)11(7-15)13(17)18-2/h7-9,12H,3-4,6H2,1-2H3
InChIKey NNUGOUTUEPYTRL-UHFFFAOYSA-N
Mol Weight 248.28 g/mol
Molecular Formula C13H16N2O3
Exact Mass 248.116092 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 5f3F9r90GSl
Name 2-METHYL-4-CARBOMETHOXY-5-CYANO-7-KETO-HYDROISOQUINOLINE
CAS Registry Number 120230-35-5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H16N2O3
InChI InChI=1S/C13H16N2O3/c1-15-6-9-4-10(16)3-8(5-14)12(9)11(7-15)13(17)18-2/h7-9,12H,3-4,6H2,1-2H3
InChIKey NNUGOUTUEPYTRL-UHFFFAOYSA-N
Literature Reference Author E.W.BAXTER,D.LABAREE,S.CHAO,P.S.MARIANO
Literature Reference Citation J.ORG.CHEM.,54,2893(1989)
Literature Reference DOI 10.1021/jo00273a024
Molecular Weight 248.282 g/mol
Solvent CDCl3
Source File Reference UWGB1327