| SpectraBase Compound ID | 2J3enGzFgw3 |
|---|---|
| InChI | InChI=1S/C24H46O4/c1-6-7-8-9-10-11-12-13-14-15-16-19-27-22(25)24(4,5)23(26)28-20-17-18-21(2)3/h21H,6-20H2,1-5H3 |
| InChIKey | JJNRDRNGDPVXLX-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 | Jygq7Axbm3I |
|---|---|
| Name | Dimethylmalonic acid, isohexyl tridecyl 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/c1-6-7-8-9-10-11-12-13-14-15-16-19-27-22(25)24(4,5)23(26)28-20-17-18-21(2)3/h21H,6-20H2,1-5H3 |
| InChIKey | JJNRDRNGDPVXLX-UHFFFAOYSA-N |
| Molecular Weight | 398.628 g/mol |
| SMILES | CCCCCCCCCCCCCOC(C(C(=O)OCCCC(C)C)(C)C)=O |