| SpectraBase Spectrum ID |
920BZVPYPPW |
| Name |
3-Methylpentan-3-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 |
296.083570472 u |
| Formula |
C13H13F5O2 |
| InChI |
InChI=1S/C13H13F5O2/c1-4-13(3,5-2)20-12(19)6-7(14)9(16)11(18)10(17)8(6)15/h4-5H2,1-3H3 |
| InChIKey |
AVHDRMHRBXEPHW-UHFFFAOYSA-N |
| Molecular Weight |
296.237 g/mol |
| SMILES |
C(=O)(C1=C(C(=C(C(=C1F)F)F)F)F)OC(CC)(C)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.872299 |
