| SpectraBase Compound ID | AO5CqjkjLA3 |
|---|---|
| InChI | InChI=1S/C27H50O6/c1-4-7-10-13-16-19-25(28)31-22-24(33-27(30)21-18-15-12-9-6-3)23-32-26(29)20-17-14-11-8-5-2/h24H,4-23H2,1-3H3 |
| InChIKey | VLPFTAMPNXLGLX-UHFFFAOYSA-N |
| Mol Weight | 470.7 g/mol |
| Molecular Formula | C27H50O6 |
| Exact Mass | 470.360739 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CJKcWqbQePA |
|---|---|
| Name | TRIOCTANOIN |
| Source of Sample | Eastman Organic Chemicals, Rochester, New York |
| Copyright | Copyright © 1980, 1981-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H50O6 |
| InChI | InChI=1S/C27H50O6/c1-4-7-10-13-16-19-25(28)31-22-24(33-27(30)21-18-15-12-9-6-3)23-32-26(29)20-17-14-11-8-5-2/h24H,4-23H2,1-3H3 |
| InChIKey | VLPFTAMPNXLGLX-UHFFFAOYSA-N |
| Melting Point | 6-8C |
| Molecular Weight | 470.70 |
| Solvent | Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20 |