| SpectraBase Spectrum ID |
8YDUrpczxWN |
| Name |
2-(5,5-Diphenylpent-4-enyl)-2-ethyl-malonic acid diethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
408.230059506 u |
| Formula |
C26H32O4 |
| InChI |
InChI=1S/C26H32O4/c1-4-26(24(27)29-5-2,25(28)30-6-3)20-14-13-19-23(21-15-9-7-10-16-21)22-17-11-8-12-18-22/h7-12,15-19H,4-6,13-14,20H2,1-3H3 |
| InChIKey |
KOEUOBJBBNWURM-UHFFFAOYSA-N |
| Molecular Weight |
408.538 g/mol |
| SMILES |
C(C(=O)OCC)(C(=O)OCC)(CC)CCCC=C(C1=CC=CC=C1)C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.90464 |
