| SpectraBase Compound ID | Cqodh3BGwkM |
|---|---|
| InChI | InChI=1S/C19H20O4/c1-2-3-7-13-22-18(20)15-9-8-10-16(14-15)19(21)23-17-11-5-4-6-12-17/h4-6,8-12,14H,2-3,7,13H2,1H3 |
| InChIKey | YNVFDIIIEYACTD-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 | 3wH9gYguF6j |
|---|---|
| Name | Isophthalic 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/c1-2-3-7-13-22-18(20)15-9-8-10-16(14-15)19(21)23-17-11-5-4-6-12-17/h4-6,8-12,14H,2-3,7,13H2,1H3 |
| InChIKey | YNVFDIIIEYACTD-UHFFFAOYSA-N |
| Molecular Weight | 312.365 g/mol |
| SMILES | C(C1=CC(=CC=C1)C(OCCCCC)=O)(OC1=CC=CC=C1)=O |