| SpectraBase Spectrum ID |
JhQOJQSPOpO |
| Name |
3-Hydroxymandelic acid, o,o'-di(pentafluoropropionyl) ether-, pentafluoropropionyl acid anhydride |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
605.979574939 u |
| Formula |
C17H5F15O7 |
| InChI |
InChI=1S/C17H5F15O7/c18-12(19,15(24,25)26)9(34)37-6-3-1-2-5(4-6)7(38-10(35)13(20,21)16(27,28)29)8(33)39-11(36)14(22,23)17(30,31)32/h1-4,7H |
| InChIKey |
KGLUDEHUPIADKO-UHFFFAOYSA-N |
| Molecular Weight |
606.196 g/mol |
| SMILES |
C(C(OC(C(C(F)(F)F)(F)F)=O)C1=CC(OC(C(C(F)(F)F)(F)F)=O)=CC=C1)(OC(C(C(F)(F)F)(F)F)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.982908 |
