SpectraBase Spectrum ID |
3BhPEuwyQHM |
Name |
1,5-bis(Ethylamino)-4,8-bis(perfluoropropyl)anthraquinone |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
630.098822043 u |
Formula |
C24H16F14N2O2 |
InChI |
InChI=1S/C24H16F14N2O2/c1-3-39-11-7-5-9(19(25,26)21(29,30)23(33,34)35)13-15(11)17(41)14-10(20(27,28)22(31,32)24(36,37)38)6-8-12(40-4-2)16(14)18(13)42/h5-8,39-40H,3-4H2,1-2H3 |
InChIKey |
SBMRPJVWYGERRX-UHFFFAOYSA-N |
Molecular Weight |
630.382 g/mol |
SMILES |
C(C(C=1C2=C(C(=O)C=3C(C2=O)=C(C=CC3C(C(C(F)(F)F)(F)F)(F)F)NCC)C(=CC1)NCC)(F)F)(C(F)(F)F)(F)F |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.833135 |