| SpectraBase Compound ID | 5V8atLXjlRP |
|---|---|
| InChI | InChI=1S/C11H12O/c1-3-8-12-9-11-6-4-10(2)5-7-11/h1,4-7H,8-9H2,2H3 |
| InChIKey | QWNXVMNDPAJUIZ-UHFFFAOYSA-N |
| Mol Weight | 160.22 g/mol |
| Molecular Formula | C11H12O |
| Exact Mass | 160.088815 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KkUiPqIFFU9 |
|---|---|
| Name | 1-Methyl-4-(prop-2-ynoxymethyl)benzene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 160.088815005 u |
| Formula | C11H12O |
| InChI | InChI=1S/C11H12O/c1-3-8-12-9-11-6-4-10(2)5-7-11/h1,4-7H,8-9H2,2H3 |
| InChIKey | QWNXVMNDPAJUIZ-UHFFFAOYSA-N |
| Molecular Weight | 160.216 g/mol |
| SMILES | C(#C)COCC=1C=CC(=CC1)C |