| SpectraBase Compound ID | 1q6mTtdCUxj |
|---|---|
| InChI | InChI=1S/C18H18O4/c1-3-13-8-5-6-11-16(13)22-18(20)15-10-7-9-14(12-15)17(19)21-4-2/h5-12H,3-4H2,1-2H3 |
| InChIKey | JMQOGBOYHNSNQP-UHFFFAOYSA-N |
| Mol Weight | 298.34 g/mol |
| Molecular Formula | C18H18O4 |
| Exact Mass | 298.120509 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5Mb7mDwKfqF |
|---|---|
| Name | Isophthalic acid, 2-ethylphenyl ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 298.120509056 u |
| Formula | C18H18O4 |
| InChI | InChI=1S/C18H18O4/c1-3-13-8-5-6-11-16(13)22-18(20)15-10-7-9-14(12-15)17(19)21-4-2/h5-12H,3-4H2,1-2H3 |
| InChIKey | JMQOGBOYHNSNQP-UHFFFAOYSA-N |
| SMILES | C1=CC(=CC(=C1)C(=O)OCC)C(OC1=C(CC)C=CC=C1)=O |