| SpectraBase Compound ID | 2CRF5JuMvvO |
|---|---|
| InChI | InChI=1S/C16H32O2/c1-5-6-7-8-9-11-14(2)12-10-13-15(3)16(17)18-4/h14-15H,5-13H2,1-4H3 |
| InChIKey | PYTPTMNXDVWAGJ-UHFFFAOYSA-N |
| Mol Weight | 256.4 g/mol |
| Molecular Formula | C16H32O2 |
| Exact Mass | 256.24023 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9oMHJ7Io6Qq |
|---|---|
| Name | Methyl 2,6-dimethyltridecanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 256.240230268 u |
| Formula | C16H32O2 |
| InChI | InChI=1S/C16H32O2/c1-5-6-7-8-9-11-14(2)12-10-13-15(3)16(17)18-4/h14-15H,5-13H2,1-4H3 |
| InChIKey | PYTPTMNXDVWAGJ-UHFFFAOYSA-N |
| Molecular Weight | 256.430 g/mol |
| SMILES | C(CCCC(C)C(OC)=O)(CCCCCCC)C |