| SpectraBase Compound ID | 5C0B2pNZuxQ |
|---|---|
| InChI | InChI=1S/C22H26O4/c1-3-5-11-17(4-2)16-25-21(23)19-14-9-10-15-20(19)22(24)26-18-12-7-6-8-13-18/h6-10,12-15,17H,3-5,11,16H2,1-2H3 |
| InChIKey | VMHBASANBYMKCQ-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 | BDJhkf30TvZ |
|---|---|
| Name | Phthalic acid, 2-ethylhexyl phenyl 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/c1-3-5-11-17(4-2)16-25-21(23)19-14-9-10-15-20(19)22(24)26-18-12-7-6-8-13-18/h6-10,12-15,17H,3-5,11,16H2,1-2H3 |
| InChIKey | VMHBASANBYMKCQ-UHFFFAOYSA-N |
| Molecular Weight | 354.446 g/mol |
| SMILES | C1=C(C(=CC=C1)C(OC1=CC=CC=C1)=O)C(OCC(CCCC)CC)=O |