| SpectraBase Spectrum ID |
1bPjZrqYs5E |
| Name |
4-Hydroxy-3-methoxymandelic acid, o,o'-bis(trifluoroacetyl)-, 2,2,3,4,4,4-hexafluorobutyl ester (stereoisomer 2) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
554.023490611 u |
| Formula |
C17H10F12O7 |
| InChI |
InChI=1S/C17H10F12O7/c1-33-8-4-6(2-3-7(8)35-12(31)16(24,25)26)9(36-13(32)17(27,28)29)10(30)34-5-14(19,20)11(18)15(21,22)23/h2-4,9,11H,5H2,1H3 |
| InChIKey |
YSXDALHLDZMSAC-UHFFFAOYSA-N |
| Molecular Weight |
554.241 g/mol |
| SMILES |
C1(=CC=C(C(=C1)OC)OC(C(F)(F)F)=O)C(C(=O)OCC(C(F)C(F)(F)F)(F)F)OC(C(F)(F)F)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.841863 |
