| SpectraBase Spectrum ID |
2jxfM3FyKJL |
| Name |
Glutaric acid, 2-fluorophenyl 2-methylphenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
316.111087186 u |
| Formula |
C18H17FO4 |
| InChI |
InChI=1S/C18H17FO4/c1-13-7-2-4-9-15(13)22-17(20)11-6-12-18(21)23-16-10-5-3-8-14(16)19/h2-5,7-10H,6,11-12H2,1H3 |
| InChIKey |
ONBHQPAGWOBECO-UHFFFAOYSA-N |
| Molecular Weight |
316.328 g/mol |
| SMILES |
C(CCC(OC1=CC=CC=C1F)=O)C(OC=1C(C)=CC=CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.923129 |
