| SpectraBase Spectrum ID |
4DPeq7tGW4L |
| Name |
Terephthalic acid, butyl 2-fluoroethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
268.111087186 u |
| Formula |
C14H17FO4 |
| InChI |
InChI=1S/C14H17FO4/c1-2-3-9-18-13(16)11-4-6-12(7-5-11)14(17)19-10-8-15/h4-7H,2-3,8-10H2,1H3 |
| InChIKey |
TXTDCYGIPALSSD-UHFFFAOYSA-N |
| Molecular Weight |
268.284 g/mol |
| SMILES |
C1(=CC=C(C=C1)C(OCCCC)=O)C(OCCF)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.951413 |
