![2,5,8-Tris(dibutylamino)benzo[1,2-d:3,4-d':5,6-d"]tristhiazole](/api/spectrum/1bnJZRpqdP6/structure.png?h=300&w=458 "2,5,8-Tris(dibutylamino)benzo[1,2-d:3,4-d':5,6-d\"]tristhiazole")
| SpectraBase Compound ID | 8niOVvCOfsC |
|---|---|
| InChI | InChI=1S/C33H54N6S3/c1-7-13-19-37(20-14-8-2)31-34-25-28(40-31)26-30(42-32(35-26)38(21-15-9-3)22-16-10-4)27-29(25)41-33(36-27)39(23-17-11-5)24-18-12-6/h7-24H2,1-6H3 |
| InChIKey | YWFMJOVLYMMGEQ-UHFFFAOYSA-N |
| Mol Weight | 631.0 g/mol |
| Molecular Formula | C33H54N6S3 |
| Exact Mass | 630.357209 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1bnJZRpqdP6 |
|---|---|
| Name | 2,5,8-Tris(dibutylamino)benzo[1,2-d:3,4-d':5,6-d"]tristhiazole |
| Alternate Name(s) | 2,5,8-Tris(dibutylamino)benzo[1,2-d:3,4-d':5,6-d'']tristhiazole N(2),N(2),N(5),N(5),N(8),N(8)-hexabutyldi[1,3]thiazolo[5,4-e:5,4-g][1,3]benzothiazole-2,5,8-triamine N-[5,8-bis(dibutylamino)di[1,3]thiazolo[5,4-e:5,4-g][1,3]benzothiazol-2-yl]-N,N-dibutylamine |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C33H54N6S3 |
| InChI | InChI=1S/C33H54N6S3/c1-7-13-19-37(20-14-8-2)31-34-25-28(40-31)26-30(42-32(35-26)38(21-15-9-3)22-16-10-4)27-29(25)41-33(36-27)39(23-17-11-5)24-18-12-6/h7-24H2,1-6H3 |
| InChIKey | YWFMJOVLYMMGEQ-UHFFFAOYSA-N |
| Molecular Weight | 631.017 g/mol |
| SMILES | c12c3c(nc(s3)N(CCCC)CCCC)c3c(c1sc(n2)N(CCCC)CCCC)nc(N(CCCC)CCCC)s3 |
| SPLASH | splash10-001i-0000009000-a66abfcc57a905596752 |
| Source of Spectrum | SO-0-981-2 |
| Wiley ID | 875646 |