| SpectraBase Spectrum ID |
AYdlmaerXVc |
| Name |
Ethyl 2-[(2'-benzoyl-1',2'-dihydro-1'-formyl-1'-isoquinolyl)methyl]benzoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
425.162708221 u |
| Formula |
C27H23NO4 |
| InChI |
InChI=1S/C27H23NO4/c1-2-32-26(31)23-14-8-6-13-22(23)18-27(19-29)24-15-9-7-10-20(24)16-17-28(27)25(30)21-11-4-3-5-12-21/h3-17,19H,2,18H2,1H3 |
| InChIKey |
KPKMCGKNCIEKPI-UHFFFAOYSA-N |
| Molecular Weight |
425.484 g/mol |
| SMILES |
C1(N(C=CC=2C=CC=CC12)C(=O)C1=CC=CC=C1)(CC=1C(C(=O)OCC)=CC=CC1)C=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.810248 |
![Ethyl 2-[(2'-benzoyl-1',2'-dihydro-1'-formyl-1'-isoquinolyl)methyl]benzoate](/api/spectrum/AYdlmaerXVc/structure.png?h=300&w=458 "Ethyl 2-[(2'-benzoyl-1',2'-dihydro-1'-formyl-1'-isoquinolyl)methyl]benzoate")
