| SpectraBase Spectrum ID |
641LRRWRgB2 |
| Name |
3-Methylbut-2-enoic acid, pentafluorobenzyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
280.052270343 u |
| Formula |
C12H9F5O2 |
| InChI |
InChI=1S/C12H9F5O2/c1-5(2)3-7(18)19-4-6-8(13)10(15)12(17)11(16)9(6)14/h3H,4H2,1-2H3 |
| InChIKey |
XVAGJLRDDMOERQ-UHFFFAOYSA-N |
| Molecular Weight |
280.194 g/mol |
| SMILES |
C(=C(C)C)C(=O)OCC1=C(C(=C(C(=C1F)F)F)F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.88883 |
