| SpectraBase Compound ID | AUwfxVFlqyt |
|---|---|
| InChI | InChI=1S/C19H20O4/c1-3-4-12-22-18(20)15-9-7-10-16(13-15)19(21)23-17-11-6-5-8-14(17)2/h5-11,13H,3-4,12H2,1-2H3 |
| InChIKey | DKGVYHYLKACLTF-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 | B9PJlFjFtuQ |
|---|---|
| Name | Isophthalic acid, butyl 2-methylphenyl 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/c1-3-4-12-22-18(20)15-9-7-10-16(13-15)19(21)23-17-11-6-5-8-14(17)2/h5-11,13H,3-4,12H2,1-2H3 |
| InChIKey | DKGVYHYLKACLTF-UHFFFAOYSA-N |
| Molecular Weight | 312.365 g/mol |
| SMILES | CCCCOC(C=1C=C(C(OC2=CC=CC=C2C)=O)C=CC1)=O |