| SpectraBase Compound ID | ByjetWXB4hm |
|---|---|
| InChI | InChI=1S/C12H18O/c1-4-5-9-13-12-8-6-7-10(2)11(12)3/h6-8H,4-5,9H2,1-3H3 |
| InChIKey | XVPUYZJFOYWSIY-UHFFFAOYSA-N |
| Mol Weight | 178.27 g/mol |
| Molecular Formula | C12H18O |
| Exact Mass | 178.135765 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Dajy6ujHcXG |
|---|---|
| Name | 2,3-Dimethylphenol, N-butyl ether |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 178.135765199 u |
| Formula | C12H18O |
| InChI | InChI=1S/C12H18O/c1-4-5-9-13-12-8-6-7-10(2)11(12)3/h6-8H,4-5,9H2,1-3H3 |
| InChIKey | XVPUYZJFOYWSIY-UHFFFAOYSA-N |
| Molecular Weight | 178.275 g/mol |
| SMILES | C1(=C(C=CC=C1OCCCC)C)C |