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Pyrrolo[2,1-a]isoquinoline-2-carboxylic acid, 1-[[[2-(3,4-dimethoxyphenyl)ethyl]amino]methyl]-5,6-dihydro-8,9-dimethoxy-, ethyl ester

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Pyrrolo[2,1-a]isoquinoline-2-carboxylic acid, 1-[[[2-(3,4-dimethoxyphenyl)ethyl]amino]methyl]-5,6-dihydro-8,9-dimethoxy-, ethyl ester
SpectraBase Compound ID 4h8jPVtAfS9
InChI InChI=1S/C28H34N2O6/c1-6-36-28(31)22-17-30-12-10-19-14-25(34-4)26(35-5)15-20(19)27(30)21(22)16-29-11-9-18-7-8-23(32-2)24(13-18)33-3/h7-8,13-15,17,29H,6,9-12,16H2,1-5H3
InChIKey ANQCZELLTZPCBZ-UHFFFAOYSA-N
Mol Weight 494.6 g/mol
Molecular Formula C28H34N2O6
Exact Mass 494.241687 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KyrBvtjLnqi
Name Pyrrolo[2,1-A]isoquinoline-2-carboxylic acid, 1-[[[2-(3,4-dimethoxyphenyl)ethyl]amino]methyl]-5,6-dihydro-8,9-dimethoxy-, ethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 494.241686817 u
Formula C28H34N2O6
InChI InChI=1S/C28H34N2O6/c1-6-36-28(31)22-17-30-12-10-19-14-25(34-4)26(35-5)15-20(19)27(30)21(22)16-29-11-9-18-7-8-23(32-2)24(13-18)33-3/h7-8,13-15,17,29H,6,9-12,16H2,1-5H3
InChIKey ANQCZELLTZPCBZ-UHFFFAOYSA-N
Molecular Weight 494.588 g/mol
SMILES C=1(C(=C2C3=C(C=C(C(=C3)OC)OC)CCN2C1)CNCCC=1C=C(OC)C(=CC1)OC)C(=O)OCC