| SpectraBase Compound ID | 3hs4LrEbYeV |
|---|---|
| InChI | InChI=1S/C9H16O3/c1-11-9(12-2)7-5-3-4-6-8-10/h4,6,8-9H,3,5,7H2,1-2H3/b6-4+ |
| InChIKey | LXDJGQCXXDXCQC-GQCTYLIASA-N |
| Mol Weight | 172.22 g/mol |
| Molecular Formula | C9H16O3 |
| Exact Mass | 172.109944 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9WnS95gjXvO |
|---|---|
| Name | 7,7-Dimethoxy-2-hepten-1-al |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 172.109944372 u |
| Formula | C9H16O3 |
| InChI | InChI=1S/C9H16O3/c1-11-9(12-2)7-5-3-4-6-8-10/h4,6,8-9H,3,5,7H2,1-2H3/b6-4+ |
| InChIKey | LXDJGQCXXDXCQC-GQCTYLIASA-N |
| Molecular Weight | 172.224 g/mol |
| SMILES | C(\C=C\C=O)CCC(OC)OC |