| SpectraBase Compound ID | 2ChthNFAKgd |
|---|---|
| InChI | InChI=1S/C13H26O6/c1-3-4-5-19-13(14)12-18-11-10-17-9-8-16-7-6-15-2/h3-12H2,1-2H3 |
| InChIKey | IBPVPCWVZPHVQR-UHFFFAOYSA-N |
| Mol Weight | 278.34 g/mol |
| Molecular Formula | C13H26O6 |
| Exact Mass | 278.172939 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 91zPqV7xt3F |
|---|---|
| Name | Butyl 2,5,8,11-tetraoxatridecan-13-oate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 278.172938551 u |
| Formula | C13H26O6 |
| InChI | InChI=1S/C13H26O6/c1-3-4-5-19-13(14)12-18-11-10-17-9-8-16-7-6-15-2/h3-12H2,1-2H3 |
| InChIKey | IBPVPCWVZPHVQR-UHFFFAOYSA-N |
| Molecular Weight | 278.345 g/mol |
| SMILES | COCCOCCOCCOCC(OCCCC)=O |