| SpectraBase Compound ID | EscS6AgyUas |
|---|---|
| InChI | InChI=1S/C13H18O2/c1-3-13(11(2)9-14)15-10-12-7-5-4-6-8-12/h3-8,11,13-14H,1,9-10H2,2H3/t11-,13-/m0/s1 |
| InChIKey | KGQGQRQAFAPFJA-AAEUAGOBSA-N |
| Mol Weight | 206.28 g/mol |
| Molecular Formula | C13H18O2 |
| Exact Mass | 206.13068 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Dk5i1vbA2U5 |
|---|---|
| Name | (2S,3S)-2-Methyl-3-phenylmethoxy-4-penten-1-ol isomer |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 206.130679818 u |
| Formula | C13H18O2 |
| InChI | InChI=1S/C13H18O2/c1-3-13(11(2)9-14)15-10-12-7-5-4-6-8-12/h3-8,11,13-14H,1,9-10H2,2H3/t11-,13-/m0/s1 |
| InChIKey | KGQGQRQAFAPFJA-AAEUAGOBSA-N |
| Molecular Weight | 206.285 g/mol |
| SMILES | [C@@](OCC1=CC=CC=C1)(C=C)([C@](CO)(C)[H])[H] |