| SpectraBase Spectrum ID |
KcADI5CQ0P2 |
| Name |
Glutaric acid, 2-chloro-5-methylphenyl 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/c1-3-18-13(16)5-4-6-14(17)19-12-9-10(2)7-8-11(12)15/h7-9H,3-6H2,1-2H3 |
| InChIKey |
ADJNYPZYTVRXJH-UHFFFAOYSA-N |
| Molecular Weight |
284.739 g/mol |
| SMILES |
C1(OC(=O)CCCC(=O)OCC)=C(C=CC(=C1)C)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.860669 |
