| SpectraBase Compound ID | Ajj9ZLVjh8T |
|---|---|
| InChI | InChI=1S/C12H20O3/c1-9(2)12(15-11(4)14)6-5-10(3)7-8-13/h8,10H,5-7H2,1-4H3/t10-/m0/s1 |
| InChIKey | KBTMCPWSONCDAZ-JTQLQIEISA-N |
| Mol Weight | 212.29 g/mol |
| Molecular Formula | C12H20O3 |
| Exact Mass | 212.141245 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 23EDG8kit1h |
|---|---|
| Name | 6-Acetoxycitronellal |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 212.141244501 u |
| Formula | C12H20O3 |
| InChI | InChI=1S/C12H20O3/c1-9(2)12(15-11(4)14)6-5-10(3)7-8-13/h8,10H,5-7H2,1-4H3/t10-/m0/s1 |
| InChIKey | KBTMCPWSONCDAZ-JTQLQIEISA-N |
| Molecular Weight | 212.289 g/mol |
| SMILES | C(OC(=O)C)(=C(C)C)CC[C@@](CC=O)(C)[H] |