| SpectraBase Compound ID | Hg7iEJGGjsU |
|---|---|
| InChI | InChI=1S/C23H36O4/c1-5-8-9-10-11-12-13-17-26-21(24)23(6-2,7-3)22(25)27-20-16-14-15-19(4)18-20/h14-16,18H,5-13,17H2,1-4H3 |
| InChIKey | ROYGWTPCKLSVQP-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 | F8aKaWidj90 |
|---|---|
| Name | Diethylmalonic acid, 3-methylphenyl nonyl 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/c1-5-8-9-10-11-12-13-17-26-21(24)23(6-2,7-3)22(25)27-20-16-14-15-19(4)18-20/h14-16,18H,5-13,17H2,1-4H3 |
| InChIKey | ROYGWTPCKLSVQP-UHFFFAOYSA-N |
| Molecular Weight | 376.537 g/mol |
| SMILES | CCC(C(OCCCCCCCCC)=O)(C(OC1=CC(=CC=C1)C)=O)CC |