| SpectraBase Spectrum ID |
59IJOtAaeK8 |
| Name |
Glutaric acid, ethyl 3-methylphenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
250.120509056 u |
| Formula |
C14H18O4 |
| InChI |
InChI=1S/C14H18O4/c1-3-17-13(15)8-5-9-14(16)18-12-7-4-6-11(2)10-12/h4,6-7,10H,3,5,8-9H2,1-2H3 |
| InChIKey |
DCJGDMJDXOWYCY-UHFFFAOYSA-N |
| Molecular Weight |
250.294 g/mol |
| SMILES |
CC1=CC=CC(OC(=O)CCCC(OCC)=O)=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.881541 |
