| SpectraBase Compound ID | BJDVsXyu2IY |
|---|---|
| InChI | InChI=1S/C18H31NO3/c1-3-11-17-12-9-7-5-4-6-8-10-13-18(21)22-15-14-19(17)16(2)20/h4,6,17H,3,5,7-15H2,1-2H3/b6-4+ |
| InChIKey | WAPURXNBBSTOHS-GQCTYLIASA-N |
| Mol Weight | 309.45 g/mol |
| Molecular Formula | C18H31NO3 |
| Exact Mass | 309.230394 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9LVjtKFXhDy |
|---|---|
| Name | Acetylepilachnene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 309.230393859 u |
| Formula | C18H31NO3 |
| InChI | InChI=1S/C18H31NO3/c1-3-11-17-12-9-7-5-4-6-8-10-13-18(21)22-15-14-19(17)16(2)20/h4,6,17H,3,5,7-15H2,1-2H3/b6-4+ |
| InChIKey | WAPURXNBBSTOHS-GQCTYLIASA-N |
| Molecular Weight | 309.450 g/mol |
| SMILES | C(N1C(CCC)CCCC\C=C\CCCC(OCC1)=O)(=O)C |