| SpectraBase Spectrum ID |
JXJrkRo73uk |
| Name |
5,8-Dihydroxy-1,4-naphthoquinone, bis(heptafluorobutyrate) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
581.978432125 u |
| Formula |
C18H4F14O6 |
| InChI |
InChI=1S/C18H4F14O6/c19-13(20,15(23,24)17(27,28)29)11(35)37-7-3-4-8(10-6(34)2-1-5(33)9(7)10)38-12(36)14(21,22)16(25,26)18(30,31)32/h1-4H |
| InChIKey |
KJHKTBPUBBMCNW-UHFFFAOYSA-N |
| Molecular Weight |
582.202 g/mol |
| SMILES |
C1(=O)C2=C(C(OC(=O)C(C(C(F)(F)F)(F)F)(F)F)=CC=C2OC(=O)C(C(C(F)(F)F)(F)F)(F)F)C(C=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.931062 |
