| SpectraBase Compound ID | 79xMlfnlwKR |
|---|---|
| InChI | InChI=1S/C17H16O4/c1-3-20-16(18)13-8-6-9-14(11-13)17(19)21-15-10-5-4-7-12(15)2/h4-11H,3H2,1-2H3 |
| InChIKey | TUNXCWLFCLBHKT-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 | JkBU1ljeOeS |
|---|---|
| Name | Isophthalic acid, ethyl 2-methylphenyl 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/c1-3-20-16(18)13-8-6-9-14(11-13)17(19)21-15-10-5-4-7-12(15)2/h4-11H,3H2,1-2H3 |
| InChIKey | TUNXCWLFCLBHKT-UHFFFAOYSA-N |
| SMILES | C(C1=CC(=CC=C1)C(OCC)=O)(OC=1C(C)=CC=CC1)=O |