| SpectraBase Compound ID | 7WZxtbbuTgn |
|---|---|
| InChI | InChI=1S/C24H38O5/c1-2-3-4-14-19-28-23(25)17-12-7-5-6-8-13-18-24(26)29-21-20-27-22-15-10-9-11-16-22/h9-11,15-16H,2-8,12-14,17-21H2,1H3 |
| InChIKey | BTXOETTXGOXBDK-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 | 2Bjr1YcQnvy |
|---|---|
| Name | Sebacic acid, hexyl 2-phenoxyethyl 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/c1-2-3-4-14-19-28-23(25)17-12-7-5-6-8-13-18-24(26)29-21-20-27-22-15-10-9-11-16-22/h9-11,15-16H,2-8,12-14,17-21H2,1H3 |
| InChIKey | BTXOETTXGOXBDK-UHFFFAOYSA-N |
| Molecular Weight | 406.563 g/mol |
| SMILES | C(CCCCCCC(OCCCCCC)=O)CC(OCCOC1=CC=CC=C1)=O |