| SpectraBase Spectrum ID |
IYjOdhrv4GG |
| Name |
Succinic acid, 3-chlorophenethyl ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
284.081536723 u |
| Formula |
C14H17ClO4 |
| InChI |
InChI=1S/C14H17ClO4/c1-2-18-13(16)6-7-14(17)19-9-8-11-4-3-5-12(15)10-11/h3-5,10H,2,6-9H2,1H3 |
| InChIKey |
LZMSXASPDITQGN-UHFFFAOYSA-N |
| Molecular Weight |
284.739 g/mol |
| SMILES |
C(CCC(OCCC1=CC(=CC=C1)Cl)=O)(OCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.929877 |
