| SpectraBase Spectrum ID |
KjQAKByCAag |
| Name |
Resveratrol, o,o',o''-tri(trifluoroacetyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
516.025541471 u |
| Formula |
C20H9F9O6 |
| InChI |
InChI=1S/C20H9F9O6/c21-18(22,23)15(30)33-12-5-3-10(4-6-12)1-2-11-7-13(34-16(31)19(24,25)26)9-14(8-11)35-17(32)20(27,28)29/h1-9H/b2-1+ |
| InChIKey |
TVACSYOLPCRXEX-OWOJBTEDSA-N |
| Molecular Weight |
516.272 g/mol |
| SMILES |
C1(=CC=C(C=C1)OC(C(F)(F)F)=O)\C=C\C=1C=C(C=C(C1)OC(C(F)(F)F)=O)OC(C(F)(F)F)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.979561 |
