![4-(1-Chloro-1,1,2,2,3,3-hexafluoropropyl)-8-nitropyrimido[2,1-b]benzothiazole-2-one](/api/spectrum/5BfraIYWHI/structure.png?h=300&w=458 "4-(1-Chloro-1,1,2,2,3,3-hexafluoropropyl)-8-nitropyrimido[2,1-b]benzothiazole-2-one")
| SpectraBase Compound ID | CUBocRQovqv |
|---|---|
| InChI | InChI=1S/C13H4ClF6N3O3S/c14-13(19,20)12(17,18)11(15,16)8-4-9(24)22-6-2-1-5(23(25)26)3-7(6)27-10(22)21-8/h1-4H |
| InChIKey | CFYACWMURRVFQL-UHFFFAOYSA-N |
| Mol Weight | 431.7 g/mol |
| Molecular Formula | C13H4ClF6N3O3S |
| Exact Mass | 430.956609 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 5BfraIYWHI |
|---|---|
| Name | 4-(1-Chloro-1,1,2,2,3,3-hexafluoropropyl)-8-nitropyrimido[2,1-b]benzothiazole-2-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C13H4ClF6N3O3S |
| InChI | InChI=1S/C13H4ClF6N3O3S/c14-13(19,20)12(17,18)11(15,16)8-4-9(24)22-6-2-1-5(23(25)26)3-7(6)27-10(22)21-8/h1-4H |
| InChIKey | CFYACWMURRVFQL-UHFFFAOYSA-N |
| Molecular Weight | 431.696 g/mol |
| SMILES | C1=2N(C(C=C(N2)C(C(C(F)(F)Cl)(F)F)(F)F)=O)c2c(S1)cc(cc2)N(=O)=O |
| SPLASH | splash10-00lr-0061900000-c0e6de0f0892e65b1885 |
| Source of Spectrum | KC-0-986-8 |
| Synonyms | 2-(3-Chloro-1,1,2,2,3,3-hexafluoropropyl)-8-nitro-4H-pyrimido[2,1-b][1,3]benzothiazole-4-one 2-(3-Chloro-1,1,2,2,3,3-hexafluoropropyl)-8-nitro-4-pyrimido[2,1-b][1,3]benzothiazolone 2-(3-Chloro-1,1,2,2,3,3-hexafluoropropyl)-8-nitropyrimido[2,1-b][1,3]benzothiazol-4-one 2-[3-chloranyl-1,1,2,2,3,3-hexakis(fluoranyl)propyl]-8-nitro-pyrimido[2,1-b][1,3]benzothiazol-4-one |
| Wiley ID | 787810 |