| SpectraBase Spectrum ID |
6GEMYRiULF5 |
| Name |
Salicylic acid, o-pentafluoropropionyl-, benzyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
374.057749645 u |
| Formula |
C17H11F5O4 |
| InChI |
InChI=1S/C17H11F5O4/c18-16(19,17(20,21)22)15(24)26-13-9-5-4-8-12(13)14(23)25-10-11-6-2-1-3-7-11/h1-9H,10H2 |
| InChIKey |
IVUZUSSQTVECPI-UHFFFAOYSA-N |
| Molecular Weight |
374.263 g/mol |
| SMILES |
C(OCC1=CC=CC=C1)(=O)C1=C(OC(C(C(F)(F)F)(F)F)=O)C=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.965489 |
