| SpectraBase Compound ID | K5qFbggaWMs |
|---|---|
| InChI | InChI=1S/C15H22O3/c1-12(2)8-9-14(17)15(10-16)18-11-13-6-4-3-5-7-13/h3-9,12,14-17H,10-11H2,1-2H3/b9-8-/t14-,15+/m1/s1 |
| InChIKey | QPQSGNBYFANUKK-AYPKIECRSA-N |
| Mol Weight | 250.34 g/mol |
| Molecular Formula | C15H22O3 |
| Exact Mass | 250.156895 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FuWHrwmbNO6 |
|---|---|
| Name | (2S,3R)-2-Benzyloxy-6-methyl-4-heptene-1,3-diol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 250.156894565 u |
| Formula | C15H22O3 |
| InChI | InChI=1S/C15H22O3/c1-12(2)8-9-14(17)15(10-16)18-11-13-6-4-3-5-7-13/h3-9,12,14-17H,10-11H2,1-2H3/b9-8-/t14-,15+/m1/s1 |
| InChIKey | QPQSGNBYFANUKK-AYPKIECRSA-N |
| Molecular Weight | 250.338 g/mol |
| SMILES | C(\C=C/[C@]([C@@](OCC=1C=CC=CC1)(CO)[H])(O)[H])(C)C |