![2,5,8-Tris(dioctylamino)benzo[1,2-d:3,4-d':5,6-d"]tristhiazole](/api/spectrum/Eu1ba8j1fqk/structure.png?h=300&w=458 "2,5,8-Tris(dioctylamino)benzo[1,2-d:3,4-d':5,6-d\"]tristhiazole")
| SpectraBase Compound ID | KzP17ndSjaC |
|---|---|
| InChI | InChI=1S/C57H102N6S3/c1-7-13-19-25-31-37-43-61(44-38-32-26-20-14-8-2)55-58-49-52(64-55)50-54(66-56(59-50)62(45-39-33-27-21-15-9-3)46-40-34-28-22-16-10-4)51-53(49)65-57(60-51)63(47-41-35-29-23-17-11-5)48-42-36-30-24-18-12-6/h7-48H2,1-6H3 |
| InChIKey | FXUDNCXTKQAWPO-UHFFFAOYSA-N |
| Mol Weight | 967.7 g/mol |
| Molecular Formula | C57H102N6S3 |
| Exact Mass | 966.732811 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Eu1ba8j1fqk |
|---|---|
| Name | 2,5,8-Tris(dioctylamino)benzo[1,2-d:3,4-d':5,6-d"]tristhiazole |
| Alternate Name(s) | 2,5,8-Tris(dioctylamino)benzo[1,2-d:3,4-d':5,6-d'']tristhiazole 4-N,4-N,9-N,9-N,14-N,14-N-hexaoctyl-3,8,13-trithia-5,10,15-triazatetracyclo[10.3.0.0(2,6).0(7,11)]pentadeca-1,4,6,9,11,14-hexaene-4,9,14-triamine |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C57H102N6S3 |
| InChI | InChI=1S/C57H102N6S3/c1-7-13-19-25-31-37-43-61(44-38-32-26-20-14-8-2)55-58-49-52(64-55)50-54(66-56(59-50)62(45-39-33-27-21-15-9-3)46-40-34-28-22-16-10-4)51-53(49)65-57(60-51)63(47-41-35-29-23-17-11-5)48-42-36-30-24-18-12-6/h7-48H2,1-6H3 |
| InChIKey | FXUDNCXTKQAWPO-UHFFFAOYSA-N |
| Molecular Weight | 967.665 g/mol |
| SMILES | c12c3c(nc(s3)N(CCCCCCCC)CCCCCCCC)c3c(c1sc(n2)N(CCCCCCCC)CCCCCCCC)nc(N(CCCCCCCC)CCCCCCCC)s3 |
| SPLASH | splash10-014i-0000000009-18616a1bef502bc76f06 |
| Source of Spectrum | SO-0-981-2 |
| Wiley ID | 875644 |