| SpectraBase Compound ID | Gd705rZJSc |
|---|---|
| InChI | InChI=1S/C18H18O4/c1-4-21-17(19)14-6-5-7-15(11-14)18(20)22-16-10-12(2)8-9-13(16)3/h5-11H,4H2,1-3H3 |
| InChIKey | WSQSJFBCVLXBIA-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 | o2vZ5Fi81l |
|---|---|
| Name | Isophthalic acid, 2,5-dimethylphenyl 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/c1-4-21-17(19)14-6-5-7-15(11-14)18(20)22-16-10-12(2)8-9-13(16)3/h5-11H,4H2,1-3H3 |
| InChIKey | WSQSJFBCVLXBIA-UHFFFAOYSA-N |
| SMILES | C1(=C(C=C(C=C1)C)OC(C1=CC(=CC=C1)C(OCC)=O)=O)C |