| SpectraBase Compound ID | aCpPZ4nLIW |
|---|---|
| InChI | InChI=1S/C7H14N2OS.C6H3N3O7/c1-6(3-4-10-2)5-11-7(8)9;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h3H,4-5H2,1-2H3,(H3,8,9);1-2,10H |
| InChIKey | FRDMLMAXFUFHEH-UHFFFAOYSA-N |
| Mol Weight | 403.37 g/mol |
| Molecular Formula | C13H17N5O8S |
| Exact Mass | 403.079784 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4i1JVGJuq5t |
|---|---|
| Name | 2-(4-methoxy-2-methyl-2-butenyl)-2-thiopseudourea, monopicrate |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C13H17N5O8S |
| InChI | InChI=1S/C7H14N2OS.C6H3N3O7/c1-6(3-4-10-2)5-11-7(8)9;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h3H,4-5H2,1-2H3,(H3,8,9);1-2,10H |
| InChIKey | FRDMLMAXFUFHEH-UHFFFAOYSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 25875M |
| Solvent | Polysol-d |