| SpectraBase Compound ID | FPrgAQiIupo |
|---|---|
| InChI | InChI=1S/C18H26O4/c1-15(2)14-22-18(20)11-7-6-10-17(19)21-13-12-16-8-4-3-5-9-16/h3-5,8-9,15H,6-7,10-14H2,1-2H3 |
| InChIKey | ZJWLSJBVOZYMDB-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 | HY4AzUj1pVO |
|---|---|
| Name | Adipic acid, isobutyl 2-phenylethyl 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/c1-15(2)14-22-18(20)11-7-6-10-17(19)21-13-12-16-8-4-3-5-9-16/h3-5,8-9,15H,6-7,10-14H2,1-2H3 |
| InChIKey | ZJWLSJBVOZYMDB-UHFFFAOYSA-N |
| Molecular Weight | 306.402 g/mol |
| SMILES | C(=O)(CCCCC(OCC(C)C)=O)OCCC1=CC=CC=C1 |