| SpectraBase Spectrum ID |
3uvUU2frzhy |
| Name |
.beta.-Hydroxyisovaleric acid, o-pentafluoropropionyl-, 1,1,1-trifluoro-2-propyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
360.060784166 u |
| Formula |
C11H12F8O4 |
| InChI |
InChI=1S/C11H12F8O4/c1-5(10(14,15)16)22-6(20)4-8(2,3)23-7(21)9(12,13)11(17,18)19/h5H,4H2,1-3H3 |
| InChIKey |
BHLJHAUPWWASNU-UHFFFAOYSA-N |
| Molecular Weight |
360.200 g/mol |
| SMILES |
C(OC(C(F)(F)F)C)(CC(C)(C)OC(C(C(F)(F)F)(F)F)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.80051 |
