| SpectraBase Spectrum ID |
1trc8c35ixd |
| Name |
(E)-Diisopropyl 2-benzylidenesuccinate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
290.151809184 u |
| Formula |
C17H22O4 |
| InChI |
InChI=1S/C17H22O4/c1-12(2)20-16(18)11-15(17(19)21-13(3)4)10-14-8-6-5-7-9-14/h5-10,12-13H,11H2,1-4H3/b15-10+ |
| InChIKey |
FPSZOSZBAFTATP-XNTDXEJSSA-N |
| SMILES |
C(\C(=C\C1=CC=CC=C1)CC(OC(C)C)=O)(=O)OC(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.963717 |
