| SpectraBase Compound ID | 8OkJiRATE3r |
|---|---|
| InChI | InChI=1S/C21H24O4/c1-3-9-16(2)25-21(23)19-13-8-7-12-18(19)20(22)24-15-14-17-10-5-4-6-11-17/h4-8,10-13,16H,3,9,14-15H2,1-2H3 |
| InChIKey | LFXRTKUCGUYPMB-UHFFFAOYSA-N |
| Mol Weight | 340.42 g/mol |
| Molecular Formula | C21H24O4 |
| Exact Mass | 340.167459 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2OfFXB8WFqf |
|---|---|
| Name | Phthalic acid, 2-pentyl 2-phenylethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 340.167459249 u |
| Formula | C21H24O4 |
| InChI | InChI=1S/C21H24O4/c1-3-9-16(2)25-21(23)19-13-8-7-12-18(19)20(22)24-15-14-17-10-5-4-6-11-17/h4-8,10-13,16H,3,9,14-15H2,1-2H3 |
| InChIKey | LFXRTKUCGUYPMB-UHFFFAOYSA-N |
| Molecular Weight | 340.419 g/mol |
| SMILES | C1(=C(C=CC=C1)C(OC(C)CCC)=O)C(OCCC1=CC=CC=C1)=O |