![1-{5-{[2-(tert-butylthio)ethyl]amino}-2-chloro-4-nitrophenyl}pyrrole](/api/spectrum/BCpRW7envvo/structure.png?h=300&w=458 "1-{5-{[2-(tert-butylthio)ethyl]amino}-2-chloro-4-nitrophenyl}pyrrole")
| SpectraBase Compound ID | F2jaOUbecql |
|---|---|
| InChI | InChI=1S/C16H20ClN3O2S/c1-16(2,3)23-9-6-18-13-11-14(19-7-4-5-8-19)12(17)10-15(13)20(21)22/h4-5,7-8,10-11,18H,6,9H2,1-3H3 |
| InChIKey | UUHUBXVJXUGFAX-UHFFFAOYSA-N |
| Mol Weight | 353.87 g/mol |
| Molecular Formula | C16H20ClN3O2S |
| Exact Mass | 353.096476 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BCpRW7envvo |
|---|---|
| Name | 1-{5-{[2-(tert-butylthio)ethyl]amino}-2-chloro-4-nitrophenyl}pyrrole |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C16H20ClN3O2S |
| InChI | InChI=1S/C16H20ClN3O2S/c1-16(2,3)23-9-6-18-13-11-14(19-7-4-5-8-19)12(17)10-15(13)20(21)22/h4-5,7-8,10-11,18H,6,9H2,1-3H3 |
| InChIKey | UUHUBXVJXUGFAX-UHFFFAOYSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 58720M |
| Solvent | CDCl3 |