| SpectraBase Compound ID | DQ3QoqPf7NR |
|---|---|
| InChI | InChI=1S/C16H18N2O/c1-12-8-9-13(2)15(10-12)18-16(19)17-11-14-6-4-3-5-7-14/h3-10H,11H2,1-2H3,(H2,17,18,19) |
| InChIKey | KMNILVXPQUUXCA-UHFFFAOYSA-N |
| Mol Weight | 254.33 g/mol |
| Molecular Formula | C16H18N2O |
| Exact Mass | 254.141913 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5r4EUxye9tA |
|---|---|
| Name | 1-Benzyl-3-(2,5-xylyl)urea |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 254.141913207 u |
| Formula | C16H18N2O |
| InChI | InChI=1S/C16H18N2O/c1-12-8-9-13(2)15(10-12)18-16(19)17-11-14-6-4-3-5-7-14/h3-10H,11H2,1-2H3,(H2,17,18,19) |
| InChIKey | KMNILVXPQUUXCA-UHFFFAOYSA-N |
| Molecular Weight | 254.333 g/mol |
| SMILES | N(C1=CC(=CC=C1C)C)C(NCC=1C=CC=CC1)=O |