| SpectraBase Compound ID | 1qRmngOcyJV |
|---|---|
| InChI | InChI=1S/C23H44O4/c1-5-7-9-10-11-12-13-14-15-16-18-20-27-22(25)23(3,4)21(24)26-19-17-8-6-2/h5-20H2,1-4H3 |
| InChIKey | SHVCRSFHYVRTKA-UHFFFAOYSA-N |
| Mol Weight | 384.6 g/mol |
| Molecular Formula | C23H44O4 |
| Exact Mass | 384.32396 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 27GI0WXu7ue |
|---|---|
| Name | Dimethylmalonic acid, pentyl tridecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 384.323959893 u |
| Formula | C23H44O4 |
| InChI | InChI=1S/C23H44O4/c1-5-7-9-10-11-12-13-14-15-16-18-20-27-22(25)23(3,4)21(24)26-19-17-8-6-2/h5-20H2,1-4H3 |
| InChIKey | SHVCRSFHYVRTKA-UHFFFAOYSA-N |
| Molecular Weight | 384.601 g/mol |
| SMILES | C(CCCCCCCOC(=O)C(C(OCCCCC)=O)(C)C)CCCCC |