| SpectraBase Compound ID | LBk3EeprMxD |
|---|---|
| InChI | InChI=1S/C24H22O4/c1-3-17-9-7-11-19(15-17)27-23(25)21-13-5-6-14-22(21)24(26)28-20-12-8-10-18(4-2)16-20/h5-16H,3-4H2,1-2H3 |
| InChIKey | XDUJERDZZZSVFY-UHFFFAOYSA-N |
| Mol Weight | 374.44 g/mol |
| Molecular Formula | C24H22O4 |
| Exact Mass | 374.151809 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3nn7hThhcsr |
|---|---|
| Name | Phthalic acid, di(3-ethylphenyl) ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 374.151809184 u |
| Formula | C24H22O4 |
| InChI | InChI=1S/C24H22O4/c1-3-17-9-7-11-19(15-17)27-23(25)21-13-5-6-14-22(21)24(26)28-20-12-8-10-18(4-2)16-20/h5-16H,3-4H2,1-2H3 |
| InChIKey | XDUJERDZZZSVFY-UHFFFAOYSA-N |
| Molecular Weight | 374.436 g/mol |
| SMILES | C1(=CC=CC=C1C(OC1=CC=CC(CC)=C1)=O)C(OC1=CC=CC(CC)=C1)=O |