| SpectraBase Spectrum ID |
EDc7QVhLSut |
| Name |
Quinizarin, o-(heptafluorobutyryl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
436.018170461 u |
| Formula |
C18H7F7O5 |
| InChI |
InChI=1S/C18H7F7O5/c19-16(20,17(21,22)18(23,24)25)15(29)30-10-6-5-9(26)11-12(10)14(28)8-4-2-1-3-7(8)13(11)27/h1-6,26H |
| InChIKey |
WCMFPPUBRSANTO-UHFFFAOYSA-N |
| Molecular Weight |
436.238 g/mol |
| SMILES |
C1=CC=C2C(=C1)C(C=1C(C2=O)=C(C=CC1O)OC(C(C(F)(F)C(F)(F)F)(F)F)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.863217 |
