| SpectraBase Compound ID | EZxWcqhc83c |
|---|---|
| InChI | InChI=1S/C22H26O4/c1-5-15(3)25-21(23)19-13-9-7-11-17(19)18-12-8-10-14-20(18)22(24)26-16(4)6-2/h7-16H,5-6H2,1-4H3 |
| InChIKey | AGRVMSRYTBABRZ-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 | 4B3YwVN9Btw |
|---|---|
| Name | Diphenic acid, di-sec-butyl 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/c1-5-15(3)25-21(23)19-13-9-7-11-17(19)18-12-8-10-14-20(18)22(24)26-16(4)6-2/h7-16H,5-6H2,1-4H3 |
| InChIKey | AGRVMSRYTBABRZ-UHFFFAOYSA-N |
| Molecular Weight | 354.446 g/mol |
| SMILES | C1=C(C(=CC=C1)C=1C(=CC=CC1)C(OC(CC)C)=O)C(=O)OC(CC)C |