| SpectraBase Compound ID | 7erKmHqwdjs |
|---|---|
| InChI | InChI=1S/C18H26O4/c1-4-15-8-7-9-16(12-15)22-18(20)11-6-5-10-17(19)21-13-14(2)3/h7-9,12,14H,4-6,10-11,13H2,1-3H3 |
| InChIKey | HKZNGOKDWYDHBZ-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 | 9RBJGQI5RMJ |
|---|---|
| Name | Adipic acid, 3-ethylphenyl isobutyl 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/c1-4-15-8-7-9-16(12-15)22-18(20)11-6-5-10-17(19)21-13-14(2)3/h7-9,12,14H,4-6,10-11,13H2,1-3H3 |
| InChIKey | HKZNGOKDWYDHBZ-UHFFFAOYSA-N |
| Molecular Weight | 306.402 g/mol |
| SMILES | C(CCC(OC1=CC=CC(CC)=C1)=O)CC(OCC(C)C)=O |