| SpectraBase Spectrum ID |
1OC7anz1d3V |
| Name |
Succinic acid, 4-chloro-3-methylphenyl but-2-en-1-yl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
296.081536723 u |
| Formula |
C15H17ClO4 |
| InChI |
InChI=1S/C15H17ClO4/c1-3-4-9-19-14(17)7-8-15(18)20-12-5-6-13(16)11(2)10-12/h3-6,10H,7-9H2,1-2H3/b4-3+ |
| InChIKey |
RVRAUGUQRWCEGU-ONEGZZNKSA-N |
| Molecular Weight |
296.750 g/mol |
| SMILES |
C(CC(OC1=CC(C)=C(C=C1)Cl)=O)C(OC\C=C\C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.957719 |
