| SpectraBase Compound ID | 1TdeXeTVOvO |
|---|---|
| InChI | InChI=1S/C23H36O4/c1-5-9-10-11-12-15-18-26-21(24)23(7-3,8-4)22(25)27-20-17-14-13-16-19(20)6-2/h13-14,16-17H,5-12,15,18H2,1-4H3 |
| InChIKey | HFLDJFVHBYDAGH-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 | 4MO5rGkKrOr |
|---|---|
| Name | Diethylmalonic acid, 2-ethylphenyl octyl 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/c1-5-9-10-11-12-15-18-26-21(24)23(7-3,8-4)22(25)27-20-17-14-13-16-19(20)6-2/h13-14,16-17H,5-12,15,18H2,1-4H3 |
| InChIKey | HFLDJFVHBYDAGH-UHFFFAOYSA-N |
| Molecular Weight | 376.537 g/mol |
| SMILES | CCC(C(OCCCCCCCC)=O)(C(OC1=C(C=CC=C1)CC)=O)CC |