| SpectraBase Compound ID | AITrPo7TBT |
|---|---|
| InChI | InChI=1S/C24H46O4/c1-5-7-9-10-11-12-13-14-15-16-17-19-21-28-23(26)24(3,4)22(25)27-20-18-8-6-2/h5-21H2,1-4H3 |
| InChIKey | RSMFUWNWLIMBMO-UHFFFAOYSA-N |
| Mol Weight | 398.6 g/mol |
| Molecular Formula | C24H46O4 |
| Exact Mass | 398.33961 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EIOed5TK2mi |
|---|---|
| Name | Dimethylmalonic acid, pentyl tetradecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 398.339609957 u |
| Formula | C24H46O4 |
| InChI | InChI=1S/C24H46O4/c1-5-7-9-10-11-12-13-14-15-16-17-19-21-28-23(26)24(3,4)22(25)27-20-18-8-6-2/h5-21H2,1-4H3 |
| InChIKey | RSMFUWNWLIMBMO-UHFFFAOYSA-N |
| Molecular Weight | 398.628 g/mol |
| SMILES | CCCCCOC(C(C(=O)OCCCCCCCCCCCCCC)(C)C)=O |