| SpectraBase Compound ID | Li1Ta74oGet |
|---|---|
| InChI | InChI=1S/C16H28O5/c1-13(17)11-12-14(16(20)21)9-7-5-3-2-4-6-8-10-15(18)19/h14H,2-12H2,1H3,(H,18,19)(H,20,21) |
| InChIKey | WVUNOWFISKCONM-UHFFFAOYSA-N |
| Mol Weight | 300.39 g/mol |
| Molecular Formula | C16H28O5 |
| Exact Mass | 300.193674 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GOywJFE67cX |
|---|---|
| Name | Dodecanedioic acid, 2-(3-oxobutyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 300.193673997 u |
| Formula | C16H28O5 |
| InChI | InChI=1S/C16H28O5/c1-13(17)11-12-14(16(20)21)9-7-5-3-2-4-6-8-10-15(18)19/h14H,2-12H2,1H3,(H,18,19)(H,20,21) |
| InChIKey | WVUNOWFISKCONM-UHFFFAOYSA-N |
| Molecular Weight | 300.395 g/mol |
| SMILES | C(=O)(C(CCC(=O)C)CCCCCCCCCC(=O)O)O |