| SpectraBase Spectrum ID |
EeCiL4OQsL7 |
| Name |
10,21,-Dichloro-22,23-dihydroxy-3,6,14,17-tetraazatricyclo(17.3.1.1(8,12))tetracos-2,6,8,10,12(23)-decaene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
416.080681234 u |
| Formula |
C20H18Cl2N4O2 |
| InChI |
InChI=1S/C20H18Cl2N4O2/c21-17-5-13-9-23-1-2-24-10-14-6-18(22)8-16(20(14)28)12-26-4-3-25-11-15(7-17)19(13)27/h5-12,27-28H,1-4H2/b23-9-,24-10?,25-11+,26-12+ |
| InChIKey |
HOWKUJVLPBCGSI-WQRWCCRWSA-N |
| Molecular Weight |
417.296 g/mol |
| SMILES |
C1(O)=C2\C=N\CC\N=C\C3=C(O)C(C=NCC\N=C/C1=CC(Cl)=C2)=CC(Cl)=C3 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.950678 |
