| SpectraBase Spectrum ID |
3pyYEP5KdCk |
| Name |
Diethyl 2-(3-(4-methoxyphenyl)-3-oxopropyl)-2-(3-methylbut-2-enyl)malonate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
390.204238680 u |
| Formula |
C22H30O6 |
| InChI |
InChI=1S/C22H30O6/c1-6-27-20(24)22(14-12-16(3)4,21(25)28-7-2)15-13-19(23)17-8-10-18(26-5)11-9-17/h8-12H,6-7,13-15H2,1-5H3 |
| InChIKey |
CVZWZVXOYDMRJL-UHFFFAOYSA-N |
| Molecular Weight |
390.476 g/mol |
| SMILES |
C(C(C(OCC)=O)(CC=C(C)C)CCC(=O)C=1C=CC(OC)=CC1)(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.881793 |
