| SpectraBase Spectrum ID |
FNsl8frkN3Y |
| Name |
Terephthalic acid, isobutyl 3-fluorobenzyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
330.126737251 u |
| Formula |
C19H19FO4 |
| InChI |
InChI=1S/C19H19FO4/c1-13(2)11-23-18(21)15-6-8-16(9-7-15)19(22)24-12-14-4-3-5-17(20)10-14/h3-10,13H,11-12H2,1-2H3 |
| InChIKey |
ZYEXMMUMGNMQNX-UHFFFAOYSA-N |
| Molecular Weight |
330.355 g/mol |
| SMILES |
C1(=CC=C(C=C1)C(OCC(C)C)=O)C(=O)OCC1=CC=CC(=C1)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.859728 |
