| SpectraBase Compound ID | DXItE8jNfTT |
|---|---|
| InChI | InChI=1S/C13H18O3/c1-3-4-12(14)10-16-9-11-5-7-13(15-2)8-6-11/h3,5-8,12,14H,1,4,9-10H2,2H3/t12-/m0/s1 |
| InChIKey | SDQBGVNCTMKKOY-LBPRGKRZSA-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 | BAlfr6ndMtN |
|---|---|
| Name | (2S)-1-p-Anisyloxypent-4-en-2-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/c1-3-4-12(14)10-16-9-11-5-7-13(15-2)8-6-11/h3,5-8,12,14H,1,4,9-10H2,2H3/t12-/m0/s1 |
| InChIKey | SDQBGVNCTMKKOY-LBPRGKRZSA-N |
| Molecular Weight | 222.284 g/mol |
| SMILES | C(=C)C[C@](O)(COCC=1C=CC(=CC1)OC)[H] |