| SpectraBase Compound ID | M44mol1AKH |
|---|---|
| InChI | InChI=1S/C15H18O2/c1-10(9-16)12-4-6-15(3)7-5-14(17)11(2)13(15)8-12/h5,7,9,12H,1,4,6,8H2,2-3H3/t12-,15+/m1/s1 |
| InChIKey | VEIMBCPNRMOQOO-DOMZBBRYSA-N |
| Mol Weight | 230.31 g/mol |
| Molecular Formula | C15H18O2 |
| Exact Mass | 230.13068 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DADXkXB8kim |
|---|---|
| Name | 3-Oxoeudesma-1,4,11(13)-trien-7-.alpha.-H - 12-aldehyde |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 230.130679818 u |
| Formula | C15H18O2 |
| InChI | InChI=1S/C15H18O2/c1-10(9-16)12-4-6-15(3)7-5-14(17)11(2)13(15)8-12/h5,7,9,12H,1,4,6,8H2,2-3H3/t12-,15+/m1/s1 |
| InChIKey | VEIMBCPNRMOQOO-DOMZBBRYSA-N |
| Molecular Weight | 230.307 g/mol |
| SMILES | C12=C(C(=O)C=C[C@@]2(CC[C@](C1)(C(=C)C=O)[H])C)C |