| SpectraBase Compound ID | IWwD7UVIV5B |
|---|---|
| InChI | InChI=1S/C12H16O/c1-10(2)8-9-13-12-7-5-4-6-11(12)3/h4-8H,9H2,1-3H3 |
| InChIKey | XZNQFWQFZLMSIY-UHFFFAOYSA-N |
| Mol Weight | 176.26 g/mol |
| Molecular Formula | C12H16O |
| Exact Mass | 176.120115 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3phIxpTUtFD |
|---|---|
| Name | Ether, 3-methyl-2-butenyl o-tolyl |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 176.120115134 u |
| Formula | C12H16O |
| InChI | InChI=1S/C12H16O/c1-10(2)8-9-13-12-7-5-4-6-11(12)3/h4-8H,9H2,1-3H3 |
| InChIKey | XZNQFWQFZLMSIY-UHFFFAOYSA-N |
| Molecular Weight | 176.259 g/mol |
| SMILES | C(=CCOC1=C(C)C=CC=C1)(C)C |