| SpectraBase Compound ID | 7soKDBYFMXK |
|---|---|
| InChI | InChI=1S/C12H22O3/c1-3-4-8-11(13)9-6-5-7-10-12(14)15-2/h3-10H2,1-2H3 |
| InChIKey | JSYFNUVEQZEGGK-UHFFFAOYSA-N |
| Mol Weight | 214.3 g/mol |
| Molecular Formula | C12H22O3 |
| Exact Mass | 214.156895 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7mWvIklE31W |
|---|---|
| Name | Methyl 7-oxoundecanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 214.156894565 u |
| Formula | C12H22O3 |
| InChI | InChI=1S/C12H22O3/c1-3-4-8-11(13)9-6-5-7-10-12(14)15-2/h3-10H2,1-2H3 |
| InChIKey | JSYFNUVEQZEGGK-UHFFFAOYSA-N |
| Molecular Weight | 214.305 g/mol |
| SMILES | C(=O)(OC)CCCCCC(=O)CCCC |