| SpectraBase Compound ID | HEiRMqrFJjy |
|---|---|
| InChI | InChI=1S/C18H18O4/c1-4-21-17(19)15-7-5-6-8-16(15)18(20)22-14-10-12(2)9-13(3)11-14/h5-11H,4H2,1-3H3 |
| InChIKey | MFNQTVDEQLTHCU-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 | JBZOominlrI |
|---|---|
| Name | Phthalic acid, 3,5-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)15-7-5-6-8-16(15)18(20)22-14-10-12(2)9-13(3)11-14/h5-11H,4H2,1-3H3 |
| InChIKey | MFNQTVDEQLTHCU-UHFFFAOYSA-N |
| SMILES | CC1=CC(C)=CC(=C1)OC(C1=C(C(OCC)=O)C=CC=C1)=O |