| SpectraBase Compound ID | LqVaNaIoB0Y |
|---|---|
| InChI | InChI=1S/C22H26O4/c1-2-3-17-25-21(23)15-9-10-16-22(24)26-20-14-8-7-13-19(20)18-11-5-4-6-12-18/h4-8,11-14H,2-3,9-10,15-17H2,1H3 |
| InChIKey | SMTKHRZESQNUOJ-UHFFFAOYSA-N |
| Mol Weight | 354.45 g/mol |
| Molecular Formula | C22H26O4 |
| Exact Mass | 354.183109 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 4FbRezbXY1c |
|---|---|
| Name | Adipic acid, butyl 2-phenylphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 354.183109313 u |
| Formula | C22H26O4 |
| InChI | InChI=1S/C22H26O4/c1-2-3-17-25-21(23)15-9-10-16-22(24)26-20-14-8-7-13-19(20)18-11-5-4-6-12-18/h4-8,11-14H,2-3,9-10,15-17H2,1H3 |
| InChIKey | SMTKHRZESQNUOJ-UHFFFAOYSA-N |
| Molecular Weight | 354.446 g/mol |
| SMILES | C1(=CC=CC=C1)C1=C(C=CC=C1)OC(=O)CCCCC(OCCCC)=O |