| SpectraBase Spectrum ID |
6bozTThjBKv |
| Name |
1,5-bis(Ethylamino)-4-(perfluoropropyl)anthraquinone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
462.117824934 u |
| Formula |
C21H17F7N2O2 |
| InChI |
InChI=1S/C21H17F7N2O2/c1-3-29-12-7-5-6-10-14(12)18(32)15-11(19(22,23)20(24,25)21(26,27)28)8-9-13(30-4-2)16(15)17(10)31/h5-9,29-30H,3-4H2,1-2H3 |
| InChIKey |
BQIDPDJTJOROOO-UHFFFAOYSA-N |
| Molecular Weight |
462.368 g/mol |
| SMILES |
C(C(C1=C2C(C(=O)C3=C(C2=O)C(NCC)=CC=C3)=C(C=C1)NCC)(F)F)(C(F)(F)F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.858743 |
