| SpectraBase Compound ID | AvPVTmPzrkc |
|---|---|
| InChI | InChI=1S/C13H16N2O5S/c1-9(2)8-12(16)14-13(17)15-21(18,19)11-6-4-10(20-3)5-7-11/h4-8H,1-3H3,(H2,14,15,16,17) |
| InChIKey | RLUPSBIAGPFUQF-UHFFFAOYSA-N |
| Mol Weight | 312.34 g/mol |
| Molecular Formula | C13H16N2O5S |
| Exact Mass | 312.077993 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 17zzzJ92bI |
|---|---|
| Name | 1-(p-Methoxyphenyl)sulfonyl-3-(3-methylcrotonyl)urea |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 312.077992792 u |
| Formula | C13H16N2O5S |
| InChI | InChI=1S/C13H16N2O5S/c1-9(2)8-12(16)14-13(17)15-21(18,19)11-6-4-10(20-3)5-7-11/h4-8H,1-3H3,(H2,14,15,16,17) |
| InChIKey | RLUPSBIAGPFUQF-UHFFFAOYSA-N |
| Molecular Weight | 312.340 g/mol |
| SMILES | N(S(C1=CC=C(C=C1)OC)(=O)=O)C(NC(C=C(C)C)=O)=O |