| SpectraBase Compound ID | IEsWRh5NQod |
|---|---|
| InChI | InChI=1S/C12H19N3O4S/c1-3-4-7-14-12(16)15-20(17,18)9-5-6-11(19-2)10(13)8-9/h5-6,8H,3-4,7,13H2,1-2H3,(H2,14,15,16) |
| InChIKey | XFPGZYJMMMOUOL-UHFFFAOYSA-N |
| Mol Weight | 301.36 g/mol |
| Molecular Formula | C12H19N3O4S |
| Exact Mass | 301.109627 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AAwdpzDxRsB |
|---|---|
| Name | 1-Butyl-3-(4-methoxymetanilyl)urea |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 301.109627274 u |
| Formula | C12H19N3O4S |
| InChI | InChI=1S/C12H19N3O4S/c1-3-4-7-14-12(16)15-20(17,18)9-5-6-11(19-2)10(13)8-9/h5-6,8H,3-4,7,13H2,1-2H3,(H2,14,15,16) |
| InChIKey | XFPGZYJMMMOUOL-UHFFFAOYSA-N |
| Molecular Weight | 301.361 g/mol |
| SMILES | NC1=CC(S(=O)(=O)NC(=O)NCCCC)=CC=C1OC |