| SpectraBase Compound ID | 7A8wy7ekl13 |
|---|---|
| InChI | InChI=1S/C12H18O4/c1-9(11(13)15-3)7-5-6-8-10(2)12(14)16-4/h1-2,5-8H2,3-4H3 |
| InChIKey | KKJUCNRRSNRICJ-UHFFFAOYSA-N |
| Mol Weight | 226.27 g/mol |
| Molecular Formula | C12H18O4 |
| Exact Mass | 226.120509 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GExdmeJu7Sj |
|---|---|
| Name | Octanedioic acid, 2,7-bis(methylene)-, dimethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 226.120509056 u |
| Formula | C12H18O4 |
| InChI | InChI=1S/C12H18O4/c1-9(11(13)15-3)7-5-6-8-10(2)12(14)16-4/h1-2,5-8H2,3-4H3 |
| InChIKey | KKJUCNRRSNRICJ-UHFFFAOYSA-N |
| Molecular Weight | 226.272 g/mol |
| SMILES | COC(=O)C(=C)CCCCC(=C)C(=O)OC |