| SpectraBase Compound ID | HH5c1WIumof |
|---|---|
| InChI | InChI=1S/C19H20O4/c1-4-10-22-18(20)15-6-5-7-16(12-15)19(21)23-17-9-8-13(2)14(3)11-17/h5-9,11-12H,4,10H2,1-3H3 |
| InChIKey | WUCWVYNEMBICDK-UHFFFAOYSA-N |
| Mol Weight | 312.37 g/mol |
| Molecular Formula | C19H20O4 |
| Exact Mass | 312.136159 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GWrQOfIpZrx |
|---|---|
| Name | Isophthalic acid, 3,4-dimethylphenyl propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 312.136159120 u |
| Formula | C19H20O4 |
| InChI | InChI=1S/C19H20O4/c1-4-10-22-18(20)15-6-5-7-16(12-15)19(21)23-17-9-8-13(2)14(3)11-17/h5-9,11-12H,4,10H2,1-3H3 |
| InChIKey | WUCWVYNEMBICDK-UHFFFAOYSA-N |
| Molecular Weight | 312.365 g/mol |
| SMILES | C1=CC(OC(C2=CC(=CC=C2)C(OCCC)=O)=O)=CC(=C1C)C |