| SpectraBase Compound ID | 45ubHQZgt3l |
|---|---|
| InChI | InChI=1S/C19H20O4/c1-2-3-9-14-22-18(20)16-12-7-8-13-17(16)19(21)23-15-10-5-4-6-11-15/h4-8,10-13H,2-3,9,14H2,1H3 |
| InChIKey | YFSNMRYUSACQNQ-UHFFFAOYSA-N |
| Mol Weight | 312.37 g/mol |
| Molecular Formula | C19H20O4 |
| Exact Mass | 312.136159 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FKlSJ9Uj3Rs |
|---|---|
| Name | Phthalic acid, pentyl phenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 312.136159120 u |
| Formula | C19H20O4 |
| InChI | InChI=1S/C19H20O4/c1-2-3-9-14-22-18(20)16-12-7-8-13-17(16)19(21)23-15-10-5-4-6-11-15/h4-8,10-13H,2-3,9,14H2,1H3 |
| InChIKey | YFSNMRYUSACQNQ-UHFFFAOYSA-N |
| Molecular Weight | 312.365 g/mol |
| SMILES | CCCCCOC(C1=C(C(OC2=CC=CC=C2)=O)C=CC=C1)=O |