| SpectraBase Spectrum ID |
FI2uFlgwghs |
| Name |
Diethyl 2-(4-iodo-2-phenylpent-4-en-1-yl)malonate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
430.064104217 u |
| Formula |
C18H23IO4 |
| InChI |
InChI=1S/C18H23IO4/c1-4-22-17(20)16(18(21)23-5-2)12-15(11-13(3)19)14-9-7-6-8-10-14/h6-10,15-16H,3-5,11-12H2,1-2H3 |
| InChIKey |
HTOCXEREYUHWBK-UHFFFAOYSA-N |
| Molecular Weight |
430.282 g/mol |
| SMILES |
C(CC(C(OCC)=O)C(=O)OCC)(C1=CC=CC=C1)CC(I)=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.932492 |
