| SpectraBase Spectrum ID |
G9XjU6D6bbL |
| Name |
(3-Phenyloxiran-2-yl)methyl 2,2,3,3,4,4,4-heptafluorobutanoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
346.043991288 u |
| Formula |
C13H9F7O3 |
| InChI |
InChI=1S/C13H9F7O3/c14-11(15,12(16,17)13(18,19)20)10(21)22-6-8-9(23-8)7-4-2-1-3-5-7/h1-5,8-9H,6H2 |
| InChIKey |
BGSKKLRTIMZJGL-UHFFFAOYSA-N |
| Molecular Weight |
346.201 g/mol |
| SMILES |
C1=CC=CC=C1C1C(COC(=O)C(C(F)(C(F)(F)F)F)(F)F)O1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.871874 |
