| SpectraBase Compound ID | gAYKAUQATC |
|---|---|
| InChI | InChI=1S/C29H44O4/c1-2-3-4-5-6-7-8-15-23-32-28(30)21-16-22-29(31)33-27(26-19-13-10-14-20-26)24-25-17-11-9-12-18-25/h10-11,13-14,17,19-20,25,27H,2-9,12,15-16,18,21-24H2,1H3 |
| InChIKey | OEAQNPMNGISLRH-UHFFFAOYSA-N |
| Mol Weight | 456.7 g/mol |
| Molecular Formula | C29H44O4 |
| Exact Mass | 456.32396 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | L0hIfD1CpkN |
|---|---|
| Name | Glutaric acid, decyl 1-phenyl-2-(3-cyclohexenyl)ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 456.323959893 u |
| Formula | C29H44O4 |
| InChI | InChI=1S/C29H44O4/c1-2-3-4-5-6-7-8-15-23-32-28(30)21-16-22-29(31)33-27(26-19-13-10-14-20-26)24-25-17-11-9-12-18-25/h10-11,13-14,17,19-20,25,27H,2-9,12,15-16,18,21-24H2,1H3 |
| InChIKey | OEAQNPMNGISLRH-UHFFFAOYSA-N |
| Molecular Weight | 456.667 g/mol |
| SMILES | C1CC=CC(C1)CC(OC(=O)CCCC(OCCCCCCCCCC)=O)C1=CC=CC=C1 |