| SpectraBase Compound ID | CiHsyZF2AxP |
|---|---|
| InChI | InChI=1S/C22H26O4/c23-21(25-17-19-11-5-3-6-12-19)15-9-1-2-10-16-22(24)26-18-20-13-7-4-8-14-20/h3-8,11-14H,1-2,9-10,15-18H2 |
| InChIKey | KWYCNDSIQMBOIS-UHFFFAOYSA-N |
| Mol Weight | 354.45 g/mol |
| Molecular Formula | C22H26O4 |
| Exact Mass | 354.183109 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1KYeW2ulCOn |
|---|---|
| Name | bis(Phenylmethyl) octanedioate |
| 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/c23-21(25-17-19-11-5-3-6-12-19)15-9-1-2-10-16-22(24)26-18-20-13-7-4-8-14-20/h3-8,11-14H,1-2,9-10,15-18H2 |
| InChIKey | KWYCNDSIQMBOIS-UHFFFAOYSA-N |
| Molecular Weight | 354.446 g/mol |
| SMILES | C(=O)(OCC=1C=CC=CC1)CCCCCCC(=O)OCC=1C=CC=CC1 |