| SpectraBase Compound ID | HJWixEA3VLD |
|---|---|
| InChI | InChI=1S/C25H40O4/c1-5-6-7-8-9-10-13-20-28-23(26)14-11-12-15-24(27)29-22-18-16-21(17-19-22)25(2,3)4/h16-19H,5-15,20H2,1-4H3 |
| InChIKey | LRKNNRSLPTVRRL-UHFFFAOYSA-N |
| Mol Weight | 404.6 g/mol |
| Molecular Formula | C25H40O4 |
| Exact Mass | 404.29266 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JTyijT1sgk |
|---|---|
| Name | Adipic acid, nonyl 4-tert-butylphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 404.292659764 u |
| Formula | C25H40O4 |
| InChI | InChI=1S/C25H40O4/c1-5-6-7-8-9-10-13-20-28-23(26)14-11-12-15-24(27)29-22-18-16-21(17-19-22)25(2,3)4/h16-19H,5-15,20H2,1-4H3 |
| InChIKey | LRKNNRSLPTVRRL-UHFFFAOYSA-N |
| Molecular Weight | 404.591 g/mol |
| SMILES | C(=O)(CCCCC(OCCCCCCCCC)=O)OC1=CC=C(C=C1)C(C)(C)C |