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2-(Ethoxycarbonyl)-6,7-dimethoxy-1-(2-oxopentyl)-1,2,3,4-tetrahydroisoquinoline

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

2-(Ethoxycarbonyl)-6,7-dimethoxy-1-(2-oxopentyl)-1,2,3,4-tetrahydroisoquinoline
SpectraBase Compound ID 1SI3AXeXabc
InChI InChI=1S/C19H27NO5/c1-5-7-14(21)11-16-15-12-18(24-4)17(23-3)10-13(15)8-9-20(16)19(22)25-6-2/h10,12,16H,5-9,11H2,1-4H3
InChIKey IFPVDGOWTLOVFI-UHFFFAOYSA-N
Mol Weight 349.43 g/mol
Molecular Formula C19H27NO5
Exact Mass 349.188923 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Cl0Au41jsF8
Name 2-(Ethoxycarbonyl)-6,7-dimethoxy-1-(2-oxopentyl)-1,2,3,4-tetrahydroisoquinoline
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 349.188922968 u
Formula C19H27NO5
InChI InChI=1S/C19H27NO5/c1-5-7-14(21)11-16-15-12-18(24-4)17(23-3)10-13(15)8-9-20(16)19(22)25-6-2/h10,12,16H,5-9,11H2,1-4H3
InChIKey IFPVDGOWTLOVFI-UHFFFAOYSA-N
Molecular Weight 349.427 g/mol
SMILES C1(N(CCC=2C=C(C(=CC12)OC)OC)C(=O)OCC)CC(=O)CCC