| SpectraBase Compound ID | GqX5QQHg7yx |
|---|---|
| InChI | InChI=1S/C17H16O4/c1-2-11-20-16(18)13-7-6-8-14(12-13)17(19)21-15-9-4-3-5-10-15/h3-10,12H,2,11H2,1H3 |
| InChIKey | YGKACTWREOOWKZ-UHFFFAOYSA-N |
| Mol Weight | 284.31 g/mol |
| Molecular Formula | C17H16O4 |
| Exact Mass | 284.104859 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DYdyWSgHyi |
|---|---|
| Name | Isophthalic acid, phenyl propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 284.104858991 u |
| Formula | C17H16O4 |
| InChI | InChI=1S/C17H16O4/c1-2-11-20-16(18)13-7-6-8-14(12-13)17(19)21-15-9-4-3-5-10-15/h3-10,12H,2,11H2,1H3 |
| InChIKey | YGKACTWREOOWKZ-UHFFFAOYSA-N |
| SMILES | C(C1=CC(=CC=C1)C(OCCC)=O)(OC1=CC=CC=C1)=O |