| SpectraBase Spectrum ID |
BLPRnr4ZWTn |
| Name |
Salicylic acid, o-heptafluorobutyryl-, benzyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
424.054555971 u |
| Formula |
C18H11F7O4 |
| InChI |
InChI=1S/C18H11F7O4/c19-16(20,17(21,22)18(23,24)25)15(27)29-13-9-5-4-8-12(13)14(26)28-10-11-6-2-1-3-7-11/h1-9H,10H2 |
| InChIKey |
TWKSLDKHADEAMA-UHFFFAOYSA-N |
| Molecular Weight |
424.271 g/mol |
| SMILES |
C(OCC1=CC=CC=C1)(=O)C1=C(OC(=O)C(C(C(F)(F)F)(F)F)(F)F)C=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.940807 |
