| SpectraBase Compound ID | 5nfmE0hquJW |
|---|---|
| InChI | InChI=1S/C18H26O4/c1-4-13-21-17(19)11-7-8-12-18(20)22-16-10-6-5-9-15(16)14(2)3/h5-6,9-10,14H,4,7-8,11-13H2,1-3H3 |
| InChIKey | DKJZRFQJJGSBCA-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 | 9DBhqFSRPQc |
|---|---|
| Name | Adipic acid, 2-isopropylphenyl propyl 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/c1-4-13-21-17(19)11-7-8-12-18(20)22-16-10-6-5-9-15(16)14(2)3/h5-6,9-10,14H,4,7-8,11-13H2,1-3H3 |
| InChIKey | DKJZRFQJJGSBCA-UHFFFAOYSA-N |
| Molecular Weight | 306.402 g/mol |
| SMILES | CCCOC(CCCCC(=O)OC1=C(C=CC=C1)C(C)C)=O |