| SpectraBase Compound ID | Acxl2Z8PEe3 |
|---|---|
| InChI | InChI=1S/C28H42O4/c1-4-5-6-7-8-9-16-21-31-26(29)28(2,3)27(30)32-25(24-19-14-11-15-20-24)22-23-17-12-10-13-18-23/h11-12,14-15,17,19-20,23,25H,4-10,13,16,18,21-22H2,1-3H3 |
| InChIKey | RCLYKKHXFZUHCL-UHFFFAOYSA-N |
| Mol Weight | 442.6 g/mol |
| Molecular Formula | C28H42O4 |
| Exact Mass | 442.30831 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4nctc6KS5Io |
|---|---|
| Name | Dimethylmalonic acid, nonyl 1-phenyl-2-(cyclohex-2-enyl)ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 442.308309828 u |
| Formula | C28H42O4 |
| InChI | InChI=1S/C28H42O4/c1-4-5-6-7-8-9-16-21-31-26(29)28(2,3)27(30)32-25(24-19-14-11-15-20-24)22-23-17-12-10-13-18-23/h11-12,14-15,17,19-20,23,25H,4-10,13,16,18,21-22H2,1-3H3 |
| InChIKey | RCLYKKHXFZUHCL-UHFFFAOYSA-N |
| Molecular Weight | 442.640 g/mol |
| SMILES | C1=CC=C(C=C1)C(OC(=O)C(C)(C)C(OCCCCCCCCC)=O)CC1C=CCCC1 |