![2,5,8-Tris(dipropylamino)benzo[1,2-d:3,4-d':5,6-d"]tristhiazole](/api/spectrum/AkUnCBgOti1/structure.png?h=300&w=458 "2,5,8-Tris(dipropylamino)benzo[1,2-d:3,4-d':5,6-d\"]tristhiazole")
| SpectraBase Compound ID | HwpPt9BLY8X |
|---|---|
| InChI | InChI=1S/C27H42N6S3/c1-7-13-31(14-8-2)25-28-19-22(34-25)20-24(36-26(29-20)32(15-9-3)16-10-4)21-23(19)35-27(30-21)33(17-11-5)18-12-6/h7-18H2,1-6H3 |
| InChIKey | WGMXEUMROSQLKG-UHFFFAOYSA-N |
| Mol Weight | 546.9 g/mol |
| Molecular Formula | C27H42N6S3 |
| Exact Mass | 546.263309 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | AkUnCBgOti1 |
|---|---|
| Name | 2,5,8-Tris(dipropylamino)benzo[1,2-d:3,4-d':5,6-d"]tristhiazole |
| Alternate Name(s) | 2,5,8-Tris(dipropylamino)benzo[1,2-d:3,4-d':5,6-d'']tristhiazole N(2),N(2),N(5),N(5),N(8),N(8)-hexapropyldi[1,3]thiazolo[5,4-e:5,4-g][1,3]benzothiazole-2,5,8-triamine N-[5,8-bis(dipropylamino)di[1,3]thiazolo[5,4-e:5,4-g][1,3]benzothiazol-2-yl]-N,N-dipropylamine |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H42N6S3 |
| InChI | InChI=1S/C27H42N6S3/c1-7-13-31(14-8-2)25-28-19-22(34-25)20-24(36-26(29-20)32(15-9-3)16-10-4)21-23(19)35-27(30-21)33(17-11-5)18-12-6/h7-18H2,1-6H3 |
| InChIKey | WGMXEUMROSQLKG-UHFFFAOYSA-N |
| Molecular Weight | 546.855 g/mol |
| SMILES | c12c3c(nc(s3)N(CCC)CCC)c3c(c1sc(n2)N(CCC)CCC)nc(N(CCC)CCC)s3 |
| SPLASH | splash10-0002-0000090000-c818a92e276f096e9a10 |
| Source of Spectrum | SO-0-981-2 |
| Wiley ID | 875647 |