| SpectraBase Spectrum ID |
DgfuhLqE5py |
| Name |
1,4-Dimethyl 2-ethyl 3-phenylbuta-1,3-diene-1,2,4-tricarboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
318.110338294 u |
| Formula |
C17H18O6 |
| InChI |
InChI=1S/C17H18O6/c1-4-23-17(20)14(11-16(19)22-3)13(10-15(18)21-2)12-8-6-5-7-9-12/h5-11H,4H2,1-3H3/b13-10+,14-11- |
| InChIKey |
SHNRXXBCBGMOIZ-MBGGJNPXSA-N |
| Molecular Weight |
318.325 g/mol |
| SMILES |
C(\C=C\(\C(=C\C(=O)OC)C(=O)OCC)C=1C=CC=CC1)(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.937089 |
