| SpectraBase Compound ID | 8l3TKk5CfMK |
|---|---|
| InChI | InChI=1S/C12H16O3/c1-9(2)6-13-7-10-3-4-11-12(5-10)15-8-14-11/h3-5,9H,6-8H2,1-2H3 |
| InChIKey | HCILXIXRUJRWRK-UHFFFAOYSA-N |
| Mol Weight | 208.26 g/mol |
| Molecular Formula | C12H16O3 |
| Exact Mass | 208.109944 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4x7XiYeGmvs |
|---|---|
| Name | Piperonyl alcohol, 2-methylpropyl ether |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 208.109944372 u |
| Formula | C12H16O3 |
| InChI | InChI=1S/C12H16O3/c1-9(2)6-13-7-10-3-4-11-12(5-10)15-8-14-11/h3-5,9H,6-8H2,1-2H3 |
| InChIKey | HCILXIXRUJRWRK-UHFFFAOYSA-N |
| Molecular Weight | 208.257 g/mol |
| SMILES | C12=C(C=CC(=C2)COCC(C)C)OCO1 |