| SpectraBase Compound ID | G4ZpN3ruCbd |
|---|---|
| InChI | InChI=1S/C13H22O5/c1-17-12(15)8-6-4-3-5-7-11(14)9-10-13(16)18-2/h3-10H2,1-2H3 |
| InChIKey | YBSQJBOYCPAIFV-UHFFFAOYSA-N |
| Mol Weight | 258.31 g/mol |
| Molecular Formula | C13H22O5 |
| Exact Mass | 258.146724 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 64knjmUDhKj |
|---|---|
| Name | Undecanedioic acid, 4-oxo-, dimethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 258.146723803 u |
| Formula | C13H22O5 |
| InChI | InChI=1S/C13H22O5/c1-17-12(15)8-6-4-3-5-7-11(14)9-10-13(16)18-2/h3-10H2,1-2H3 |
| InChIKey | YBSQJBOYCPAIFV-UHFFFAOYSA-N |
| Molecular Weight | 258.314 g/mol |
| SMILES | C(=O)(OC)CCC(CCCCCCC(=O)OC)=O |