| SpectraBase Compound ID | AJzIVGcMRlF |
|---|---|
| InChI | InChI=1S/C17H26O2/c1-11(10-19-14(4)18)9-15-7-5-12(2)16-8-6-13(3)17(15)16/h9,12,15-16H,5-8,10H2,1-4H3/b11-9-/t12-,15+,16?/m0/s1 |
| InChIKey | GMTBKCJRMNJNFL-PODTTWMBSA-N |
| Mol Weight | 262.39 g/mol |
| Molecular Formula | C17H26O2 |
| Exact Mass | 262.19328 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7muRMMEgO6q |
|---|---|
| Name | (Z)-Valerenyl acetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 262.193280075 u |
| Formula | C17H26O2 |
| InChI | InChI=1S/C17H26O2/c1-11(10-19-14(4)18)9-15-7-5-12(2)16-8-6-13(3)17(15)16/h9,12,15-16H,5-8,10H2,1-4H3/b11-9-/t12-,15+,16?/m0/s1 |
| InChIKey | GMTBKCJRMNJNFL-PODTTWMBSA-N |
| Molecular Weight | 262.393 g/mol |
| SMILES | C=12[C@@](\C=C/(COC(=O)C)C)(CC[C@@](C2CCC1C)(C)[H])[H] |