| SpectraBase Compound ID | KxAOPJlGbV1 |
|---|---|
| InChI | InChI=1S/C27H54O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-27(28)29-25(6)26(21-19-23(2)3)22-20-24(4)5/h23-26H,7-22H2,1-6H3 |
| InChIKey | JHAGSLRTFDBCLA-UHFFFAOYSA-N |
| Mol Weight | 410.7 g/mol |
| Molecular Formula | C27H54O2 |
| Exact Mass | 410.412381 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BZG6CuotDJA |
|---|---|
| Name | 1,5-Dimethyl-2-isopentylhexyl tetradecanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 410.412380977 u |
| Formula | C27H54O2 |
| InChI | InChI=1S/C27H54O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-27(28)29-25(6)26(21-19-23(2)3)22-20-24(4)5/h23-26H,7-22H2,1-6H3 |
| InChIKey | JHAGSLRTFDBCLA-UHFFFAOYSA-N |
| Molecular Weight | 410.727 g/mol |
| SMILES | C(CCCCCCCCCCCCC)(=O)OC(C(CCC(C)C)CCC(C)C)C |