| SpectraBase Compound ID | A2YvR6jf6AS |
|---|---|
| InChI | InChI=1S/C18H18O4/c1-4-21-17(19)15-7-5-6-8-16(15)18(20)22-14-10-9-12(2)13(3)11-14/h5-11H,4H2,1-3H3 |
| InChIKey | QZWKALPHZLBFJN-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 | 5G7UhDg1ipv |
|---|---|
| Name | Phthalic acid, ethyl 3,4-dimethylphenyl 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)22-14-10-9-12(2)13(3)11-14/h5-11H,4H2,1-3H3 |
| InChIKey | QZWKALPHZLBFJN-UHFFFAOYSA-N |
| SMILES | CC1=CC(OC(C2=C(C(OCC)=O)C=CC=C2)=O)=CC=C1C |