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Methyl 1-(2-bromo-4,5-methylenedioxybenzyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-2-carboxylate

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Methyl 1-(2-bromo-4,5-methylenedioxybenzyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-2-carboxylate
SpectraBase Compound ID CV2TFCqUhuq
InChI InChI=1S/C21H22BrNO6/c1-25-17-7-12-4-5-23(21(24)27-3)16(14(12)9-18(17)26-2)6-13-8-19-20(10-15(13)22)29-11-28-19/h7-10,16H,4-6,11H2,1-3H3
InChIKey GMKFQPDGLRLPSA-UHFFFAOYSA-N
Mol Weight 464.31 g/mol
Molecular Formula C21H22BrNO6
Exact Mass 463.06305 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LrQyiapkqqX
Name Methyl 1-(2-bromo-4,5-methylenedioxybenzyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-2-carboxylate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 463.063050426 u
Formula C21H22BrNO6
InChI InChI=1S/C21H22BrNO6/c1-25-17-7-12-4-5-23(21(24)27-3)16(14(12)9-18(17)26-2)6-13-8-19-20(10-15(13)22)29-11-28-19/h7-10,16H,4-6,11H2,1-3H3
InChIKey GMKFQPDGLRLPSA-UHFFFAOYSA-N
Molecular Weight 464.312 g/mol
SMILES C1(N(CCC=2C=C(C(=CC12)OC)OC)C(=O)OC)CC=1C(=CC2=C(C1)OCO2)Br