| SpectraBase Spectrum ID |
4RdAZA4BCdz |
| Name |
Methyl 4-[1,2,3,4-tetrahydro-6,7-dimethoxy-1-methylideneisoquinoline-2-yl]-4-oxo-2,3-dibenzoyloxybutanoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
559.184231509 u |
| Formula |
C31H29NO9 |
| InChI |
InChI=1S/C31H29NO9/c1-19-23-18-25(38-3)24(37-2)17-22(23)15-16-32(19)28(33)26(40-29(34)20-11-7-5-8-12-20)27(31(36)39-4)41-30(35)21-13-9-6-10-14-21/h5-14,17-18,26-27H,1,15-16H2,2-4H3 |
| InChIKey |
SVTDGFLUVZQGGX-UHFFFAOYSA-N |
| Molecular Weight |
559.571 g/mol |
| SMILES |
C(C(N1C(C=2C=C(OC)C(=CC2CC1)OC)=C)=O)(C(OC(=O)C1=CC=CC=C1)C(=O)OC)OC(=O)C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.844016 |
![Methyl 4-[1,2,3,4-tetrahydro-6,7-dimethoxy-1-methylideneisoquinoline-2-yl]-4-oxo-2,3-dibenzoyloxybutanoate](/api/spectrum/4RdAZA4BCdz/structure.png?h=300&w=458 "Methyl 4-[1,2,3,4-tetrahydro-6,7-dimethoxy-1-methylideneisoquinoline-2-yl]-4-oxo-2,3-dibenzoyloxybutanoate")
