| SpectraBase Compound ID | KFu1NwwGjoh |
|---|---|
| InChI | InChI=1S/C19H28O4/c1-4-5-8-13-22-18(20)9-6-7-10-19(21)23-17-14-15(2)11-12-16(17)3/h11-12,14H,4-10,13H2,1-3H3 |
| InChIKey | JSZFXXCFRJPGRF-UHFFFAOYSA-N |
| Mol Weight | 320.43 g/mol |
| Molecular Formula | C19H28O4 |
| Exact Mass | 320.198759 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1qewK7G6LhC |
|---|---|
| Name | Adipic acid, 2,5-dimethylphenyl pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 320.198759378 u |
| Formula | C19H28O4 |
| InChI | InChI=1S/C19H28O4/c1-4-5-8-13-22-18(20)9-6-7-10-19(21)23-17-14-15(2)11-12-16(17)3/h11-12,14H,4-10,13H2,1-3H3 |
| InChIKey | JSZFXXCFRJPGRF-UHFFFAOYSA-N |
| Molecular Weight | 320.429 g/mol |
| SMILES | C(C(=O)OC1=C(C=CC(=C1)C)C)CCCC(OCCCCC)=O |