![2,5,8-Tris(di-n-pentylamino)benzo[1,2-d:3,4-d':5,6-d"]tristhiazole](/api/spectrum/ApCqS1bax2C/structure.png?h=300&w=458 "2,5,8-Tris(di-n-pentylamino)benzo[1,2-d:3,4-d':5,6-d\"]tristhiazole")
| SpectraBase Compound ID | BYnJmYNKj2O |
|---|---|
| InChI | InChI=1S/C39H66N6S3/c1-7-13-19-25-43(26-20-14-8-2)37-40-31-34(46-37)32-36(48-38(41-32)44(27-21-15-9-3)28-22-16-10-4)33-35(31)47-39(42-33)45(29-23-17-11-5)30-24-18-12-6/h7-30H2,1-6H3 |
| InChIKey | YMXHQQYUCOTIDS-UHFFFAOYSA-N |
| Mol Weight | 715.2 g/mol |
| Molecular Formula | C39H66N6S3 |
| Exact Mass | 714.45111 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | ApCqS1bax2C |
|---|---|
| Name | 2,5,8-Tris(di-n-pentylamino)benzo[1,2-d:3,4-d':5,6-d"]tristhiazole |
| Alternate Name(s) | 2,5,8-Tris(di-n-pentylamino)benzo[1,2-d:3,4-d':5,6-d'']tristhiazole N(2),N(2),N(5),N(5),N(8),N(8)-hexapentyldi[1,3]thiazolo[5,4-e:5,4-g][1,3]benzothiazole-2,5,8-triamine N-[5,8-bis(dipentylamino)di[1,3]thiazolo[5,4-e:5,4-g][1,3]benzothiazol-2-yl]-N,N-dipentylamine |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C39H66N6S3 |
| InChI | InChI=1S/C39H66N6S3/c1-7-13-19-25-43(26-20-14-8-2)37-40-31-34(46-37)32-36(48-38(41-32)44(27-21-15-9-3)28-22-16-10-4)33-35(31)47-39(42-33)45(29-23-17-11-5)30-24-18-12-6/h7-30H2,1-6H3 |
| InChIKey | YMXHQQYUCOTIDS-UHFFFAOYSA-N |
| Molecular Weight | 715.179 g/mol |
| SMILES | c12c3c(nc(s3)N(CCCCC)CCCCC)c3c(c1sc(n2)N(CCCCC)CCCCC)nc(N(CCCCC)CCCCC)s3 |
| SPLASH | splash10-014i-0000000900-90ac28fc4a9da80abd95 |
| Source of Spectrum | SO-0-981-2 |
| Wiley ID | 875645 |