| SpectraBase Compound ID | 4gTzDMfU5FQ |
|---|---|
| InChI | InChI=1S/C19H20O4/c1-13(2)12-22-18(20)15-8-6-9-16(11-15)19(21)23-17-10-5-4-7-14(17)3/h4-11,13H,12H2,1-3H3 |
| InChIKey | JYVHQHVMDWWHFD-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 | 2dqVSSFw1DL |
|---|---|
| Name | Isophthalic acid, isobutyl 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/c1-13(2)12-22-18(20)15-8-6-9-16(11-15)19(21)23-17-10-5-4-7-14(17)3/h4-11,13H,12H2,1-3H3 |
| InChIKey | JYVHQHVMDWWHFD-UHFFFAOYSA-N |
| Molecular Weight | 312.365 g/mol |
| SMILES | C(C1=CC(=CC=C1)C(OCC(C)C)=O)(OC1=CC=CC=C1C)=O |