| SpectraBase Compound ID | 7iJFs4pb0Hi |
|---|---|
| InChI | InChI=1S/C25H32O4/c1-2-3-4-5-6-7-8-9-15-20-28-24(26)22-18-13-14-19-23(22)25(27)29-21-16-11-10-12-17-21/h10-14,16-19H,2-9,15,20H2,1H3 |
| InChIKey | JCSXSAZEIQXICE-UHFFFAOYSA-N |
| Mol Weight | 396.5 g/mol |
| Molecular Formula | C25H32O4 |
| Exact Mass | 396.23006 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DtD8oF9BBqR |
|---|---|
| Name | Phthalic acid, phenyl undecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 396.230059506 u |
| Formula | C25H32O4 |
| InChI | InChI=1S/C25H32O4/c1-2-3-4-5-6-7-8-9-15-20-28-24(26)22-18-13-14-19-23(22)25(27)29-21-16-11-10-12-17-21/h10-14,16-19H,2-9,15,20H2,1H3 |
| InChIKey | JCSXSAZEIQXICE-UHFFFAOYSA-N |
| Molecular Weight | 396.527 g/mol |
| SMILES | C(CCCOC(C1=C(C=CC=C1)C(OC1=CC=CC=C1)=O)=O)CCCCCCC |