| SpectraBase Compound ID | 53SNotL76Cf |
|---|---|
| InChI | InChI=1S/C14H24O3/c1-13(15)11-9-7-5-3-4-6-8-10-12-14(16)17-2/h9,11H,3-8,10,12H2,1-2H3/b11-9+ |
| InChIKey | XETMXYIUMVZCDQ-PKNBQFBNSA-N |
| Mol Weight | 240.34 g/mol |
| Molecular Formula | C14H24O3 |
| Exact Mass | 240.172545 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | vFnTxamlhu |
|---|---|
| Name | (E)-12-Ketotridec-10-enoic acid methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 240.172544630 u |
| Formula | C14H24O3 |
| InChI | InChI=1S/C14H24O3/c1-13(15)11-9-7-5-3-4-6-8-10-12-14(16)17-2/h9,11H,3-8,10,12H2,1-2H3/b11-9+ |
| InChIKey | XETMXYIUMVZCDQ-PKNBQFBNSA-N |
| Molecular Weight | 240.343 g/mol |
| SMILES | C(CCCCCCCC\C=C\C(C)=O)(=O)OC |