| SpectraBase Compound ID | SI4K3ThojG |
|---|---|
| InChI | InChI=1S/C12H16O3/c1-3-4-10(13)9-15-12-7-5-11(14-2)6-8-12/h3,5-8,10,13H,1,4,9H2,2H3/t10-/m0/s1 |
| InChIKey | XTCMUJMATVNSJE-JTQLQIEISA-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 | 3diiYwn5nI |
|---|---|
| Name | (S)-1-(4-Methoxyphenoxy)pent-4-en-2-ol |
| 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/c1-3-4-10(13)9-15-12-7-5-11(14-2)6-8-12/h3,5-8,10,13H,1,4,9H2,2H3/t10-/m0/s1 |
| InChIKey | XTCMUJMATVNSJE-JTQLQIEISA-N |
| Molecular Weight | 208.257 g/mol |
| SMILES | C1(OC[C@@](O)(CC=C)[H])=CC=C(C=C1)OC |