| SpectraBase Compound ID | HOjPdDFodUC |
|---|---|
| InChI | InChI=1S/C13H18O3/c1-2-3-4-7-14-9-11-5-6-12-13(8-11)16-10-15-12/h5-6,8H,2-4,7,9-10H2,1H3 |
| InChIKey | MQZVZEKEWWZYOL-UHFFFAOYSA-N |
| Mol Weight | 222.28 g/mol |
| Molecular Formula | C13H18O3 |
| Exact Mass | 222.125594 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IZAQNbU10B9 |
|---|---|
| Name | Piperonyl alcohol, N-pentyl ether |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 222.125594437 u |
| Formula | C13H18O3 |
| InChI | InChI=1S/C13H18O3/c1-2-3-4-7-14-9-11-5-6-12-13(8-11)16-10-15-12/h5-6,8H,2-4,7,9-10H2,1H3 |
| InChIKey | MQZVZEKEWWZYOL-UHFFFAOYSA-N |
| Molecular Weight | 222.284 g/mol |
| SMILES | C12=C(C=CC(=C2)COCCCCC)OCO1 |