| SpectraBase Compound ID | 9lyqfDVoZOO |
|---|---|
| InChI | InChI=1S/C16H16N2O/c1-3-12-8-10-13(11-9-12)18(2)16-17-14-6-4-5-7-15(14)19-16/h4-11H,3H2,1-2H3 |
| InChIKey | JPIWTLJVMIJIOU-UHFFFAOYSA-N |
| Mol Weight | 252.32 g/mol |
| Molecular Formula | C16H16N2O |
| Exact Mass | 252.126263 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | kN1h3zL73p |
|---|---|
| Name | N-(4-Ethylphenyl)-N-methyl-1,3-benzoxazol-2-amine, N-methyl (isomer 1) |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 252.126263142 u |
| Formula | C16H16N2O |
| InChI | InChI=1S/C16H16N2O/c1-3-12-8-10-13(11-9-12)18(2)16-17-14-6-4-5-7-15(14)19-16/h4-11H,3H2,1-2H3 |
| InChIKey | JPIWTLJVMIJIOU-UHFFFAOYSA-N |
| Molecular Weight | 252.317 g/mol |
| SMILES | C1(N(C2=NC3=C(O2)C=CC=C3)C)=CC=C(C=C1)CC |