| SpectraBase Compound ID | lYWVj32vMV |
|---|---|
| InChI | InChI=1S/C11H18O3/c1-4-14-11(13)8-10(12)7-5-6-9(2)3/h6H,4-5,7-8H2,1-3H3 |
| InChIKey | YDLJTGXFDPPQJR-UHFFFAOYSA-N |
| Mol Weight | 198.26 g/mol |
| Molecular Formula | C11H18O3 |
| Exact Mass | 198.125594 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2sGRKyJEBhT |
|---|---|
| Name | 3-Keto-7-methyl-oct-6-enoic acid ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 198.125594437 u |
| Formula | C11H18O3 |
| InChI | InChI=1S/C11H18O3/c1-4-14-11(13)8-10(12)7-5-6-9(2)3/h6H,4-5,7-8H2,1-3H3 |
| InChIKey | YDLJTGXFDPPQJR-UHFFFAOYSA-N |
| Molecular Weight | 198.262 g/mol |
| SMILES | C(C(=O)OCC)C(=O)CCC=C(C)C |