| SpectraBase Spectrum ID |
H7tIyvGnS2a |
| Name |
Glutaric acid, 4-chloro-3-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)19-11-7-8-12(15)10(2)9-11/h7-9H,3-6H2,1-2H3 |
| InChIKey |
VHBJDUWBAKHUJR-UHFFFAOYSA-N |
| SMILES |
CC1=C(C=CC(=C1)OC(CCCC(OCC)=O)=O)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.830356 |
