| SpectraBase Compound ID | KHM6i0nfSbL |
|---|---|
| InChI | InChI=1S/C24H38O5/c1-3-4-5-12-19-28-23(25)13-10-8-6-7-9-11-14-24(26)29-20-21-15-17-22(27-2)18-16-21/h15-18H,3-14,19-20H2,1-2H3 |
| InChIKey | MTHPBINMLLLNQA-UHFFFAOYSA-N |
| Mol Weight | 406.6 g/mol |
| Molecular Formula | C24H38O5 |
| Exact Mass | 406.271924 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8P9XiiB7JMZ |
|---|---|
| Name | Sebacic acid, hexyl 4-methoxybenzyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 406.271924319 u |
| Formula | C24H38O5 |
| InChI | InChI=1S/C24H38O5/c1-3-4-5-12-19-28-23(25)13-10-8-6-7-9-11-14-24(26)29-20-21-15-17-22(27-2)18-16-21/h15-18H,3-14,19-20H2,1-2H3 |
| InChIKey | MTHPBINMLLLNQA-UHFFFAOYSA-N |
| Molecular Weight | 406.563 g/mol |
| SMILES | C(CCCCCCC(OCC1=CC=C(OC)C=C1)=O)CC(OCCCCCC)=O |