| SpectraBase Spectrum ID |
GH9L8BgJC8G |
| Name |
5-(Diethylaminomethyl)-1,3-dihydroindene-2,2-dicarboxylic acid diethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
347.209658414 u |
| Formula |
C20H29NO4 |
| InChI |
InChI=1S/C20H29NO4/c1-5-21(6-2)14-15-9-10-16-12-20(13-17(16)11-15,18(22)24-7-3)19(23)25-8-4/h9-11H,5-8,12-14H2,1-4H3 |
| InChIKey |
AEGYRWIDCDIJJT-UHFFFAOYSA-N |
| Molecular Weight |
347.455 g/mol |
| SMILES |
C1(CC=2C=C(CN(CC)CC)C=CC2C1)(C(=O)OCC)C(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.853215 |
