| SpectraBase Spectrum ID |
86lZYJ6r6AO |
| Name |
2,4,5-Trifluoro-3-methoxybenzoic acid, 4-benzyloxyphenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
388.092243448 u |
| Formula |
C21H15F3O4 |
| InChI |
InChI=1S/C21H15F3O4/c1-26-20-18(23)16(11-17(22)19(20)24)21(25)28-15-9-7-14(8-10-15)27-12-13-5-3-2-4-6-13/h2-11H,12H2,1H3 |
| InChIKey |
NTVUCQHQPSZTLX-UHFFFAOYSA-N |
| Molecular Weight |
388.342 g/mol |
| SMILES |
C1=CC=C(C=C1)COC1=CC=C(OC(C2=C(C(=C(F)C(=C2)F)OC)F)=O)C=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.928782 |
