| SpectraBase Spectrum ID |
HNTuCpBY7F3 |
| Name |
Methyl-di(pentafluoropropionyl) m-hydroxymandelate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
474.016119602 u |
| Formula |
C15H8F10O6 |
| InChI |
InChI=1S/C15H8F10O6/c1-30-9(28)11(6-3-2-4-7(26)5-6,8(27)12(16,17)14(20,21)22)31-10(29)13(18,19)15(23,24)25/h2-5,26H,1H3 |
| InChIKey |
IPVLPRWYBMQEMI-UHFFFAOYSA-N |
| Molecular Weight |
474.207 g/mol |
| SMILES |
C(C(C(C(F)(F)F)(F)F)=O)(OC(C(C(F)(F)F)(F)F)=O)(C=1C=C(O)C=CC1)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.963911 |
