| SpectraBase Compound ID | KgAtQT4Sf6t |
|---|---|
| InChI | InChI=1S/C22H34O4/c1-17(2)9-8-16-25-20(23)10-6-7-11-21(24)26-19-14-12-18(13-15-19)22(3,4)5/h12-15,17H,6-11,16H2,1-5H3 |
| InChIKey | BXPTWLWIUMQNOQ-UHFFFAOYSA-N |
| Mol Weight | 362.5 g/mol |
| Molecular Formula | C22H34O4 |
| Exact Mass | 362.24571 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IOTWnmtvWRo |
|---|---|
| Name | Adipic acid, isohexyl 4-tert-butylphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 362.245709571 u |
| Formula | C22H34O4 |
| InChI | InChI=1S/C22H34O4/c1-17(2)9-8-16-25-20(23)10-6-7-11-21(24)26-19-14-12-18(13-15-19)22(3,4)5/h12-15,17H,6-11,16H2,1-5H3 |
| InChIKey | BXPTWLWIUMQNOQ-UHFFFAOYSA-N |
| Molecular Weight | 362.510 g/mol |
| SMILES | C(=O)(CCCCC(OCCCC(C)C)=O)OC1=CC=C(C=C1)C(C)(C)C |