| SpectraBase Spectrum ID |
kFouCIikkn |
| Name |
Benzenepropanoic acid, .alpha.,4-bis(2,2,3,3,3-pentafluoro-1-oxopropoxy)-, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
488.031769666 u |
| Formula |
C16H10F10O6 |
| InChI |
InChI=1S/C16H10F10O6/c1-30-10(27)9(32-12(29)14(19,20)16(24,25)26)6-7-2-4-8(5-3-7)31-11(28)13(17,18)15(21,22)23/h2-5,9H,6H2,1H3 |
| InChIKey |
PDEKQKVKWAAYGB-UHFFFAOYSA-N |
| Molecular Weight |
488.234 g/mol |
| SMILES |
C(C(OC(C(=O)OC)CC1=CC=C(OC(C(C(F)(F)F)(F)F)=O)C=C1)=O)(C(F)(F)F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.955421 |
