| SpectraBase Spectrum ID |
2Gag8yBO4Jp |
| Name |
Succinic acid, 4-(chloromethyl)benzyl 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)7-8-14(17)19-10-12-5-3-11(9-15)4-6-12/h3-6H,2,7-10H2,1H3 |
| InChIKey |
ZCBUXBQODIAWMQ-UHFFFAOYSA-N |
| Molecular Weight |
284.739 g/mol |
| SMILES |
C(CCC(OCC=1C=CC(=CC1)CCl)=O)(OCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.953172 |
