| SpectraBase Spectrum ID |
ANk1SBsg8bc |
| Name |
.beta.-Hydroxyisovaleric acid, o-heptafluorobutyryl-, 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 |
410.057590492 u |
| Formula |
C12H12F10O4 |
| InChI |
InChI=1S/C12H12F10O4/c1-5(10(15,16)17)25-6(23)4-8(2,3)26-7(24)9(13,14)11(18,19)12(20,21)22/h5H,4H2,1-3H3 |
| InChIKey |
VILWSEYSXQELFP-UHFFFAOYSA-N |
| Molecular Weight |
410.208 g/mol |
| SMILES |
C(OC(C(F)(F)F)C)(CC(C)(C)OC(=O)C(C(C(F)(F)F)(F)F)(F)F)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.959475 |
