| SpectraBase Compound ID | Lpk1ivT52j0 |
|---|---|
| InChI | InChI=1S/C10H16O3/c1-4-5-6-7-9(8(2)11)10(12)13-3/h5-6,9H,4,7H2,1-3H3/b6-5- |
| InChIKey | YILXBIRIVNSAFS-WAYWQWQTSA-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 | 9Y0DKoZBGQF |
|---|---|
| Name | (Z)-2-Acetyl-4-heptenoic acid methyl ester |
| 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/c1-4-5-6-7-9(8(2)11)10(12)13-3/h5-6,9H,4,7H2,1-3H3/b6-5- |
| InChIKey | YILXBIRIVNSAFS-WAYWQWQTSA-N |
| Molecular Weight | 184.235 g/mol |
| SMILES | C(C(=O)OC)(C(=O)C)C\C=C/CC |