| SpectraBase Spectrum ID |
1FKFcFAD9dx |
| Name |
3-Hydroxymandelic acid, o,o'-di(trifluoroacetyl) ether-, trifluoroacetyl acid anhydride |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
455.989155961 u |
| Formula |
C14H5F9O7 |
| InChI |
InChI=1S/C14H5F9O7/c15-12(16,17)9(25)28-6-3-1-2-5(4-6)7(29-10(26)13(18,19)20)8(24)30-11(27)14(21,22)23/h1-4,7H |
| InChIKey |
NHAIWKXWAOWFET-UHFFFAOYSA-N |
| Molecular Weight |
456.173 g/mol |
| SMILES |
C(C(OC(C(F)(F)F)=O)C1=CC(OC(C(F)(F)F)=O)=CC=C1)(OC(C(F)(F)F)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.887058 |
