| SpectraBase Spectrum ID |
EMgX1kSr5h9 |
| Name |
Quinizarin, o,o'-bis(heptafluorobutyryl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
631.994082189 u |
| Formula |
C22H6F14O6 |
| InChI |
InChI=1S/C22H6F14O6/c23-17(24,19(27,28)21(31,32)33)15(39)41-9-5-6-10(42-16(40)18(25,26)20(29,30)22(34,35)36)12-11(9)13(37)7-3-1-2-4-8(7)14(12)38/h1-6H |
| InChIKey |
NQEBLVSYJAYJNS-UHFFFAOYSA-N |
| Molecular Weight |
632.262 g/mol |
| SMILES |
C1=CC=C2C(=C1)C(C=1C(C2=O)=C(C=CC1OC(C(C(F)(F)C(F)(F)F)(F)F)=O)OC(C(C(F)(F)C(F)(F)F)(F)F)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.934201 |
