| SpectraBase Spectrum ID |
FvaDkmqCApP |
| Name |
1-Ethyl-3-methyl-2-(1-phenylpropan-2-ylidene)propanedioate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
262.120509056 u |
| Formula |
C15H18O4 |
| InChI |
InChI=1S/C15H18O4/c1-4-19-15(17)13(14(16)18-3)11(2)10-12-8-6-5-7-9-12/h5-9H,4,10H2,1-3H3/b13-11- |
| InChIKey |
WRVSLOBRRLUOKQ-QBFSEMIESA-N |
| Molecular Weight |
262.305 g/mol |
| SMILES |
C(\C(=C\(CC1=CC=CC=C1)C)C(OCC)=O)(OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.956368 |
