| SpectraBase Compound ID | 1iIwW3cmYK0 |
|---|---|
| InChI | InChI=1S/C13H18O3/c1-15-13-7-5-12(6-8-13)11-16-10-4-2-3-9-14/h2-3,5-8,14H,4,9-11H2,1H3/b3-2+ |
| InChIKey | NOHLGEAQGGTUSR-NSCUHMNNSA-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 | 7ARTe08lCgk |
|---|---|
| Name | (E)-5-p-Anisyloxypent-2-en-1-ol |
| 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/c1-15-13-7-5-12(6-8-13)11-16-10-4-2-3-9-14/h2-3,5-8,14H,4,9-11H2,1H3/b3-2+ |
| InChIKey | NOHLGEAQGGTUSR-NSCUHMNNSA-N |
| Molecular Weight | 222.284 g/mol |
| SMILES | C(\C=C\CO)COCC=1C=CC(=CC1)OC |