| SpectraBase Compound ID | COiRfBzIsWW |
|---|---|
| InChI | InChI=1S/C13H23NO5/c1-11(15)9-10-12(14(17)18)7-5-3-4-6-8-13(16)19-2/h12H,3-10H2,1-2H3 |
| InChIKey | CMGSNQVXALFXSY-UHFFFAOYSA-N |
| Mol Weight | 273.33 g/mol |
| Molecular Formula | C13H23NO5 |
| Exact Mass | 273.157623 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | I6wzpWdM5pJ |
|---|---|
| Name | 11-Keto-8-nitro-lauric acid methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 273.157622840 u |
| Formula | C13H23NO5 |
| InChI | InChI=1S/C13H23NO5/c1-11(15)9-10-12(14(17)18)7-5-3-4-6-8-13(16)19-2/h12H,3-10H2,1-2H3 |
| InChIKey | CMGSNQVXALFXSY-UHFFFAOYSA-N |
| Molecular Weight | 273.329 g/mol |
| SMILES | C(N(=O)=O)(CCC(=O)C)CCCCCCC(=O)OC |