| SpectraBase Spectrum ID |
LDBr7j4MveP |
| Name |
Methyl o,o'-bis(pentafluoropropionoyl)isovanilmandelate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
504.026684285 u |
| Formula |
C16H10F10O7 |
| InChI |
InChI=1S/C16H10F10O7/c1-30-7-4-3-6(5-8(7)32-11(28)13(17,18)15(21,22)23)9(10(27)31-2)33-12(29)14(19,20)16(24,25)26/h3-5,9H,1-2H3 |
| InChIKey |
GPWIWMCFXSXKOB-UHFFFAOYSA-N |
| Molecular Weight |
504.233 g/mol |
| SMILES |
C(F)(F)(C(F)(F)F)C(=O)OC=1C=C(C(OC(C(F)(C(F)(F)F)F)=O)C(OC)=O)C=CC1OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.979107 |
