![N-(3-Cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-N'-[2,2,2-trifluoro-1-methoxy-1-(trifluoromethyl)ethyl]urea](/api/spectrum/JDhN6Ui0r3x/structure.png?h=300&w=458 "N-(3-Cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-N'-[2,2,2-trifluoro-1-methoxy-1-(trifluoromethyl)ethyl]urea")
| SpectraBase Compound ID | BipjNr7NVQB |
|---|---|
| InChI | InChI=1S/C14H13F6N3O2S/c1-25-12(13(15,16)17,14(18,19)20)23-11(24)22-10-8(6-21)7-4-2-3-5-9(7)26-10/h2-5H2,1H3,(H2,22,23,24) |
| InChIKey | ZPZAUSKJJUJPES-UHFFFAOYSA-N |
| Mol Weight | 401.33 g/mol |
| Molecular Formula | C14H13F6N3O2S |
| Exact Mass | 401.063267 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | JDhN6Ui0r3x |
|---|---|
| Name | N-(3-Cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-N'-[2,2,2-trifluoro-1-methoxy-1-(trifluoromethyl)ethyl]urea |
| CAS Registry Number | 298683-57-5 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C14H13F6N3O2S |
| InChI | InChI=1S/C14H13F6N3O2S/c1-25-12(13(15,16)17,14(18,19)20)23-11(24)22-10-8(6-21)7-4-2-3-5-9(7)26-10/h2-5H2,1H3,(H2,22,23,24) |
| InChIKey | ZPZAUSKJJUJPES-UHFFFAOYSA-N |
| Molecular Weight | 401.327 g/mol |
| SMILES | N(C(C(F)(F)F)(C(F)(F)F)OC)C(Nc1c(c2CCCCc2s1)C#N)=O |
| SPLASH | splash10-0fb9-1900000000-ed8c40ac8fab390e66b9 |
| Source of Spectrum | AD-0-2532-0 |
| Synonyms | 1-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)urea 1-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-[1,1,1,3,3,3-hexakis(fluoranyl)-2-methoxy-propan-2-yl]urea 1-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3-[2,2,2-trifluoro-1-methoxy-1-(trifluoromethyl)ethyl]urea Urea, 1-(4,5,6,7-tetrahydro-3-cyano-2-benzothienyl)-3-(2,2,2-trifluoro-1-trifluoromethyl-1-methoxyethyl)- |
| Wiley ID | 1420060 |