| SpectraBase Compound ID | 3f9NtUX1fR0 |
|---|---|
| InChI | InChI=1S/C16H17BrN2O2/c1-19(11-12-3-9-15(21-2)10-4-12)16(20)18-14-7-5-13(17)6-8-14/h3-10H,11H2,1-2H3,(H,18,20) |
| InChIKey | NQRNDMIMPZNVRG-UHFFFAOYSA-N |
| Mol Weight | 349.23 g/mol |
| Molecular Formula | C16H17BrN2O2 |
| Exact Mass | 348.047341 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HLMxNE40Na1 |
|---|---|
| Name | N'-(4-Bromophenyl)-N-(4-methoxybenzyl)-N-methylurea |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 348.047340793 u |
| Formula | C16H17BrN2O2 |
| InChI | InChI=1S/C16H17BrN2O2/c1-19(11-12-3-9-15(21-2)10-4-12)16(20)18-14-7-5-13(17)6-8-14/h3-10H,11H2,1-2H3,(H,18,20) |
| InChIKey | NQRNDMIMPZNVRG-UHFFFAOYSA-N |
| Molecular Weight | 349.228 g/mol |
| SMILES | N(C(N(CC1=CC=C(C=C1)OC)C)=O)C=1C=CC(=CC1)Br |