| SpectraBase Compound ID | L6nMHGr0smi |
|---|---|
| InChI | InChI=1S/C23H34O5/c1-5-8-9-10-11-12-17-27-21(25)23(6-2,7-3)22(26)28-20-15-13-19(14-16-20)18(4)24/h13-16H,5-12,17H2,1-4H3 |
| InChIKey | MOTSDYSVCKWWHT-UHFFFAOYSA-N |
| Mol Weight | 390.5 g/mol |
| Molecular Formula | C23H34O5 |
| Exact Mass | 390.240624 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8R4pfhPwo5w |
|---|---|
| Name | Diethylmalonic acid, 4-acetylphenyl octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 390.240624190 u |
| Formula | C23H34O5 |
| InChI | InChI=1S/C23H34O5/c1-5-8-9-10-11-12-17-27-21(25)23(6-2,7-3)22(26)28-20-15-13-19(14-16-20)18(4)24/h13-16H,5-12,17H2,1-4H3 |
| InChIKey | MOTSDYSVCKWWHT-UHFFFAOYSA-N |
| Molecular Weight | 390.520 g/mol |
| SMILES | CCC(C(OCCCCCCCC)=O)(C(OC1=CC=C(C=C1)C(C)=O)=O)CC |