| SpectraBase Compound ID | BgEuTlpgdpy |
|---|---|
| InChI | InChI=1S/C11H18O3/c1-3-4-5-6-7-8-10(12)9-11(13)14-2/h4-5H,3,6-9H2,1-2H3/b5-4+ |
| InChIKey | QFORLGLWQDAISP-SNAWJCMRSA-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 | HwmaoaBOLAB |
|---|---|
| Name | 7-Decenoic acid, 3-oxo-, methyl ester, (E)- |
| 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/c1-3-4-5-6-7-8-10(12)9-11(13)14-2/h4-5H,3,6-9H2,1-2H3/b5-4+ |
| InChIKey | QFORLGLWQDAISP-SNAWJCMRSA-N |
| Molecular Weight | 198.262 g/mol |
| SMILES | C(C(=O)OC)C(=O)CCC\C=C\CC |