| SpectraBase Compound ID | fwKLw73wHI |
|---|---|
| InChI | InChI=1S/C16H14O4/c1-2-19-15(17)12-7-6-8-13(11-12)16(18)20-14-9-4-3-5-10-14/h3-11H,2H2,1H3 |
| InChIKey | RJLNSBHHLUAXMC-UHFFFAOYSA-N |
| Mol Weight | 270.28 g/mol |
| Molecular Formula | C16H14O4 |
| Exact Mass | 270.089209 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GapM0Yj7rcv |
|---|---|
| Name | Isophthalic acid, ethyl phenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 270.089208927 u |
| Formula | C16H14O4 |
| InChI | InChI=1S/C16H14O4/c1-2-19-15(17)12-7-6-8-13(11-12)16(18)20-14-9-4-3-5-10-14/h3-11H,2H2,1H3 |
| InChIKey | RJLNSBHHLUAXMC-UHFFFAOYSA-N |
| SMILES | C(C1=CC(=CC=C1)C(OCC)=O)(OC1=CC=CC=C1)=O |