| SpectraBase Compound ID | 5bAJbe0iEJR |
|---|---|
| InChI | InChI=1S/C23H36O4/c1-4-7-8-9-10-14-18-26-21(24)23(5-2,6-3)22(25)27-19-17-20-15-12-11-13-16-20/h11-13,15-16H,4-10,14,17-19H2,1-3H3 |
| InChIKey | CYBUCJKNEOQWDB-UHFFFAOYSA-N |
| Mol Weight | 376.5 g/mol |
| Molecular Formula | C23H36O4 |
| Exact Mass | 376.26136 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ah1jmQOYhxm |
|---|---|
| Name | Diethylmalonic acid, octyl phenethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 376.261359635 u |
| Formula | C23H36O4 |
| InChI | InChI=1S/C23H36O4/c1-4-7-8-9-10-14-18-26-21(24)23(5-2,6-3)22(25)27-19-17-20-15-12-11-13-16-20/h11-13,15-16H,4-10,14,17-19H2,1-3H3 |
| InChIKey | CYBUCJKNEOQWDB-UHFFFAOYSA-N |
| Molecular Weight | 376.537 g/mol |
| SMILES | CCC(C(OCCCCCCCC)=O)(C(OCCC1=CC=CC=C1)=O)CC |