| SpectraBase Spectrum ID |
1eT4VjSCZfe |
| Name |
2,3-Dihydroxynaphthalene, bis(heptafluorobutyrate) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
552.004252951 u |
| Formula |
C18H6F14O4 |
| InChI |
InChI=1S/C18H6F14O4/c19-13(20,15(23,24)17(27,28)29)11(33)35-9-5-7-3-1-2-4-8(7)6-10(9)36-12(34)14(21,22)16(25,26)18(30,31)32/h1-6H |
| InChIKey |
ZIAXRYDNNAMGIJ-UHFFFAOYSA-N |
| Molecular Weight |
552.220 g/mol |
| SMILES |
C1=2C(=CC=CC2)C=C(C(=C1)OC(=O)C(C(C(F)(F)F)(F)F)(F)F)OC(=O)C(C(C(F)(F)F)(F)F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.950886 |
