| SpectraBase Compound ID | DHDGkorgQBV |
|---|---|
| InChI | InChI=1S/C16H26O6/c1-20-14(17)9-7-5-4-6-8-13(12-16(19)22-3)10-11-15(18)21-2/h10H,4-9,11-12H2,1-3H3/b13-10- |
| InChIKey | ATCOCHIXKYXZOJ-RAXLEYEMSA-N |
| Mol Weight | 314.38 g/mol |
| Molecular Formula | C16H26O6 |
| Exact Mass | 314.172939 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LagiE6eVgYG |
|---|---|
| Name | 4-Methoxycarbonylmethylundec-3-enedioic acid, dimethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 314.172938551 u |
| Formula | C16H26O6 |
| InChI | InChI=1S/C16H26O6/c1-20-14(17)9-7-5-4-6-8-13(12-16(19)22-3)10-11-15(18)21-2/h10H,4-9,11-12H2,1-3H3/b13-10- |
| InChIKey | ATCOCHIXKYXZOJ-RAXLEYEMSA-N |
| Molecular Weight | 314.378 g/mol |
| SMILES | C(=O)(OC)C\C=C\(CCCCCCC(=O)OC)CC(OC)=O |