| SpectraBase Compound ID | 4IkzrsjUhFA |
|---|---|
| InChI | InChI=1S/C12H18N2O3S/c1-2-3-9-13-12(15)14-18(16,17)10-11-7-5-4-6-8-11/h4-8H,2-3,9-10H2,1H3,(H2,13,14,15) |
| InChIKey | BBFCVFYDYALSMF-UHFFFAOYSA-N |
| Mol Weight | 270.35 g/mol |
| Molecular Formula | C12H18N2O3S |
| Exact Mass | 270.103814 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BohuONv0hOj |
|---|---|
| Name | 1-(Benzylsulfonyl)-3-butylurea |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 270.103813619 u |
| Formula | C12H18N2O3S |
| InChI | InChI=1S/C12H18N2O3S/c1-2-3-9-13-12(15)14-18(16,17)10-11-7-5-4-6-8-11/h4-8H,2-3,9-10H2,1H3,(H2,13,14,15) |
| InChIKey | BBFCVFYDYALSMF-UHFFFAOYSA-N |
| Molecular Weight | 270.347 g/mol |
| SMILES | N(S(CC1=CC=CC=C1)(=O)=O)C(NCCCC)=O |