| SpectraBase Compound ID | BE609WUjYvE |
|---|---|
| InChI | InChI=1S/C18H26O4/c1-3-5-13-21-17(19)11-6-7-12-18(20)22-16-10-8-9-15(4-2)14-16/h8-10,14H,3-7,11-13H2,1-2H3 |
| InChIKey | CMIIQRBCZOUHGG-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 | 7Blu1v59jaQ |
|---|---|
| Name | Adipic acid, butyl 3-ethylphenyl 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/c1-3-5-13-21-17(19)11-6-7-12-18(20)22-16-10-8-9-15(4-2)14-16/h8-10,14H,3-7,11-13H2,1-2H3 |
| InChIKey | CMIIQRBCZOUHGG-UHFFFAOYSA-N |
| Molecular Weight | 306.402 g/mol |
| SMILES | C(CCC(OC1=CC=CC(CC)=C1)=O)CC(OCCCC)=O |