| SpectraBase Compound ID | 5pYY2beJMnZ |
|---|---|
| InChI | InChI=1S/C10H16O3/c1-9(11)7-5-3-4-6-8-10(12)13-2/h6,8H,3-5,7H2,1-2H3/b8-6- |
| InChIKey | FKLLIAJRSNJJAA-VURMDHGXSA-N |
| Mol Weight | 184.23 g/mol |
| Molecular Formula | C10H16O3 |
| Exact Mass | 184.109944 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7m2e7GGwhRa |
|---|---|
| Name | Methyl 8-oxo-cis-2-nonenoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 184.109944372 u |
| Formula | C10H16O3 |
| InChI | InChI=1S/C10H16O3/c1-9(11)7-5-3-4-6-8-10(12)13-2/h6,8H,3-5,7H2,1-2H3/b8-6- |
| InChIKey | FKLLIAJRSNJJAA-VURMDHGXSA-N |
| Molecular Weight | 184.235 g/mol |
| SMILES | CC(=O)CCCC\C=C/C(=O)OC |