![4,4a,5,6,7,7a-hexahydro-2-{[m-(trifluoromethyl)benzyl]thio}-1H-cyclopentapyrimidine, monohydrochloride](/api/spectrum/7WKPPWyWEVN/structure.png?h=300&w=458 "4,4a,5,6,7,7a-hexahydro-2-{[m-(trifluoromethyl)benzyl]thio}-1H-cyclopentapyrimidine, monohydrochloride")
| SpectraBase Compound ID | 6nSYTyMojaM |
|---|---|
| InChI | InChI=1S/C15H17F3N2S.ClH/c16-15(17,18)12-5-1-3-10(7-12)9-21-14-19-8-11-4-2-6-13(11)20-14;/h1,3,5,7,11,13H,2,4,6,8-9H2,(H,19,20);1H |
| InChIKey | IQJURYVJSBNALX-UHFFFAOYSA-N |
| Mol Weight | 350.83 g/mol |
| Molecular Formula | C15H18ClF3N2S |
| Exact Mass | 350.083132 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7WKPPWyWEVN |
|---|---|
| Name | 4,4a,5,6,7,7a-hexahydro-2-{[m-(trifluoromethyl)benzyl]thio}-1H-cyclopentapyrimidine, monohydrochloride |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C15H18ClF3N2S |
| InChI | InChI=1S/C15H17F3N2S.ClH/c16-15(17,18)12-5-1-3-10(7-12)9-21-14-19-8-11-4-2-6-13(11)20-14;/h1,3,5,7,11,13H,2,4,6,8-9H2,(H,19,20);1H |
| InChIKey | IQJURYVJSBNALX-UHFFFAOYSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 29329M |
| Solvent | Polysol |