| SpectraBase Compound ID | 9Weay7Rj8Kq |
|---|---|
| InChI | InChI=1S/C18H26O4/c1-5-6-7-8-12-21-16(19)18(3,4)17(20)22-15-11-9-10-14(2)13-15/h9-11,13H,5-8,12H2,1-4H3 |
| InChIKey | FHWZAORGHGJZPS-UHFFFAOYSA-N |
| Mol Weight | 306.4 g/mol |
| Molecular Formula | C18H26O4 |
| Exact Mass | 306.183109 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 148TSen93af |
|---|---|
| Name | Dimethylmalonic acid, hexyl 3-methylphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 306.183109313 u |
| Formula | C18H26O4 |
| InChI | InChI=1S/C18H26O4/c1-5-6-7-8-12-21-16(19)18(3,4)17(20)22-15-11-9-10-14(2)13-15/h9-11,13H,5-8,12H2,1-4H3 |
| InChIKey | FHWZAORGHGJZPS-UHFFFAOYSA-N |
| Molecular Weight | 306.402 g/mol |
| SMILES | CC1=CC=CC(=C1)OC(C(C(OCCCCCC)=O)(C)C)=O |