| SpectraBase Compound ID | Ch7GnFaSg3I |
|---|---|
| InChI | InChI=1S/C22H22Cl2N4O2S/c23-19-7-15-11-25-1-2-26-12-16-8-20(24)10-18(22(16)30)14-28-4-6-31-5-3-27-13-17(9-19)21(15)29/h7-14,29-30H,1-6H2/b25-11+,26-12+,27-13-,28-14- |
| InChIKey | VWNUZHVQRJWJBC-LVWPYJOYSA-N |
| Mol Weight | 477.41 g/mol |
| Molecular Formula | C22H22Cl2N4O2S |
| Exact Mass | 476.084053 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | DpbF6cCbnOo |
|---|---|
| Name | 10,24-Dichloro-26,27-dihydroxy-3,6,14,20-tetraaza-17-thiatricyclo(20,3,1,1(8,12))heptacos-1(26),2,6,8(27),9,11,13,20,22,24-decaene |
| CAS Registry Number | 100642-00-0 |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H22Cl2N4O2S |
| InChI | InChI=1S/C22H22Cl2N4O2S/c23-19-7-15-11-25-1-2-26-12-16-8-20(24)10-18(22(16)30)14-28-4-6-31-5-3-27-13-17(9-19)21(15)29/h7-14,29-30H,1-6H2/b25-11+,26-12+,27-13-,28-14- |
| InChIKey | VWNUZHVQRJWJBC-LVWPYJOYSA-N |
| Molecular Weight | 477.410 g/mol |
| SMILES | Oc1c2\C=N\CC\N=C\c3c(c(\C=N/CCSCC\N=C/c1cc(Cl)c2)cc(Cl)c3)O |
| SPLASH | splash10-069r-0920400000-30775c86f1199820e77e |
| Source of Spectrum | O-21-187-6 |
| Wiley ID | 1394234 |