| SpectraBase Compound ID | HBinKACBIeg |
|---|---|
| InChI | InChI=1S/C9H16O/c1-8(2)5-4-6-9(3)7-10/h7,9H,1,4-6H2,2-3H3/t9-/m0/s1 |
| InChIKey | SRLDRAQKTUVOIC-VIFPVBQESA-N |
| Mol Weight | 140.23 g/mol |
| Molecular Formula | C9H16O |
| Exact Mass | 140.120115 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9DrCeFaxset |
|---|---|
| Name | (2S)-2,6-Dimethyl-6-heptenal |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 140.120115134 u |
| Formula | C9H16O |
| InChI | InChI=1S/C9H16O/c1-8(2)5-4-6-9(3)7-10/h7,9H,1,4-6H2,2-3H3/t9-/m0/s1 |
| InChIKey | SRLDRAQKTUVOIC-VIFPVBQESA-N |
| Molecular Weight | 140.226 g/mol |
| SMILES | C(=C)(CCC[C@@](C=O)(C)[H])C |