| SpectraBase Compound ID | Jghzlu1kHc3 |
|---|---|
| InChI | InChI=1S/C15H24O/c1-10(2)14(16)7-8-15(4)12-6-5-11(3)13(15)9-12/h5,10,12-13H,6-9H2,1-4H3/t12-,13-,15+/m0/s1 |
| InChIKey | HDNCWICPFYBTLZ-KCQAQPDRSA-N |
| Mol Weight | 220.36 g/mol |
| Molecular Formula | C15H24O |
| Exact Mass | 220.182715 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GfN0rB8NkwN |
|---|---|
| Name | alpha-Trans-bergamot-2-en-10-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 220.182715392 u |
| Formula | C15H24O |
| InChI | InChI=1S/C15H24O/c1-10(2)14(16)7-8-15(4)12-6-5-11(3)13(15)9-12/h5,10,12-13H,6-9H2,1-4H3/t12-,13-,15+/m0/s1 |
| InChIKey | HDNCWICPFYBTLZ-KCQAQPDRSA-N |
| Molecular Weight | 220.356 g/mol |
| SMILES | [C@@]12([C@@]([C@@](CC=C2C)(C1)[H])(CCC(C(C)C)=O)C)[H] |