| SpectraBase Compound ID | LyE9S7kbnMw |
|---|---|
| InChI | InChI=1S/C18H34O4/c1-4-5-6-7-8-9-10-11-12-13-14-16(18(20)22-3)15-17(19)21-2/h16H,4-15H2,1-3H3 |
| InChIKey | HZKZKJNBPVNYJN-UHFFFAOYSA-N |
| Mol Weight | 314.5 g/mol |
| Molecular Formula | C18H34O4 |
| Exact Mass | 314.24571 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9AI1acSoUO6 |
|---|---|
| Name | 2-Dodecylbutanedioic acid dimethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 314.245709571 u |
| Formula | C18H34O4 |
| InChI | InChI=1S/C18H34O4/c1-4-5-6-7-8-9-10-11-12-13-14-16(18(20)22-3)15-17(19)21-2/h16H,4-15H2,1-3H3 |
| InChIKey | HZKZKJNBPVNYJN-UHFFFAOYSA-N |
| SMILES | C(C(CC(=O)OC)CCCCCCCCCCCC)(=O)OC |