| SpectraBase Compound ID | 7iySloaGTUb |
|---|---|
| InChI | InChI=1S/C21H32O5/c1-16(2)10-9-15-24-20(22)13-7-8-14-21(23)26-19-12-6-5-11-18(19)25-17(3)4/h5-6,11-12,16-17H,7-10,13-15H2,1-4H3 |
| InChIKey | WBFPTPGVVQBDOL-UHFFFAOYSA-N |
| Mol Weight | 364.5 g/mol |
| Molecular Formula | C21H32O5 |
| Exact Mass | 364.224974 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5cf0CP3YwVH |
|---|---|
| Name | Adipic acid, isohexyl 2-isopropoxyphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 364.224974125 u |
| Formula | C21H32O5 |
| InChI | InChI=1S/C21H32O5/c1-16(2)10-9-15-24-20(22)13-7-8-14-21(23)26-19-12-6-5-11-18(19)25-17(3)4/h5-6,11-12,16-17H,7-10,13-15H2,1-4H3 |
| InChIKey | WBFPTPGVVQBDOL-UHFFFAOYSA-N |
| Molecular Weight | 364.482 g/mol |
| SMILES | C(C(=O)OC1=CC=CC=C1OC(C)C)CCCC(OCCCC(C)C)=O |