| SpectraBase Spectrum ID |
4T4a4V6uIMt |
| Name |
but-3-en-2-yl 2,3,4,5,6-Pentafluorobenzoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
266.036620278 u |
| Formula |
C11H7F5O2 |
| InChI |
InChI=1S/C11H7F5O2/c1-3-4(2)18-11(17)5-6(12)8(14)10(16)9(15)7(5)13/h3-4H,1H2,2H3 |
| InChIKey |
PZMQKVKARMYMTG-UHFFFAOYSA-N |
| Molecular Weight |
266.167 g/mol |
| SMILES |
C=CC(OC(C1=C(C(=C(F)C(=C1F)F)F)F)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.868564 |
