| SpectraBase Compound ID | IWkBf6CS20t |
|---|---|
| InChI | InChI=1S/C11H18O6/c1-15-9(12)5-4-8(6-10(13)16-2)7-11(14)17-3/h8H,4-7H2,1-3H3 |
| InChIKey | QUHWZIMWRBWBBN-UHFFFAOYSA-N |
| Mol Weight | 246.26 g/mol |
| Molecular Formula | C11H18O6 |
| Exact Mass | 246.110338 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | E5z2eqlMHMC |
|---|---|
| Name | 3-Methoxycarbonylmethylhexanedioic acid, dimethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 246.110338294 u |
| Formula | C11H18O6 |
| InChI | InChI=1S/C11H18O6/c1-15-9(12)5-4-8(6-10(13)16-2)7-11(14)17-3/h8H,4-7H2,1-3H3 |
| InChIKey | QUHWZIMWRBWBBN-UHFFFAOYSA-N |
| Molecular Weight | 246.259 g/mol |
| SMILES | COC(=O)CC(CCC(OC)=O)CC(=O)OC |