| SpectraBase Spectrum ID |
G99oK0IZJcV |
| Name |
5,8-Dihydroxy-1,4-naphthoquinone, heptafluorobutyrate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
386.002520397 u |
| Formula |
C14H5F7O5 |
| InChI |
InChI=1S/C14H5F7O5/c15-12(16,13(17,18)14(19,20)21)11(25)26-8-4-3-6(23)9-5(22)1-2-7(24)10(8)9/h1-4,23H |
| InChIKey |
JQKBOUOMLOSIFP-UHFFFAOYSA-N |
| Molecular Weight |
386.178 g/mol |
| SMILES |
C1(=O)C2=C(C(O)=CC=C2OC(=O)C(C(C(F)(F)F)(F)F)(F)F)C(C=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.850884 |
