| SpectraBase Compound ID | LaKzhoNEKNf |
|---|---|
| InChI | InChI=1S/C22H32O5/c1-5-6-7-8-9-10-11-16-26-20(24)22(3,4)21(25)27-19-14-12-18(13-15-19)17(2)23/h12-15H,5-11,16H2,1-4H3 |
| InChIKey | UUTVVKRMRUUPTB-UHFFFAOYSA-N |
| Mol Weight | 376.5 g/mol |
| Molecular Formula | C22H32O5 |
| Exact Mass | 376.224974 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9uIkkDWNio4 |
|---|---|
| Name | Dimethylmalonic acid, 4-acetylphenyl nonyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 376.224974125 u |
| Formula | C22H32O5 |
| InChI | InChI=1S/C22H32O5/c1-5-6-7-8-9-10-11-16-26-20(24)22(3,4)21(25)27-19-14-12-18(13-15-19)17(2)23/h12-15H,5-11,16H2,1-4H3 |
| InChIKey | UUTVVKRMRUUPTB-UHFFFAOYSA-N |
| Molecular Weight | 376.493 g/mol |
| SMILES | CC(C1=CC=C(C=C1)OC(C(C(OCCCCCCCCC)=O)(C)C)=O)=O |