| SpectraBase Compound ID | 83NVAhjjiif |
|---|---|
| InChI | InChI=1S/C16H20O4/c1-4-5-10-19-15(17)13-6-8-14(9-7-13)16(18)20-11-12(2)3/h4-9,12H,10-11H2,1-3H3/b5-4+ |
| InChIKey | MGGGGDZVIFIYRK-SNAWJCMRSA-N |
| Mol Weight | 276.33 g/mol |
| Molecular Formula | C16H20O4 |
| Exact Mass | 276.136159 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 59CvVgXBjVE |
|---|---|
| Name | Terephthalic acid, but-2-enyl isobutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 276.136159120 u |
| Formula | C16H20O4 |
| InChI | InChI=1S/C16H20O4/c1-4-5-10-19-15(17)13-6-8-14(9-7-13)16(18)20-11-12(2)3/h4-9,12H,10-11H2,1-3H3/b5-4+ |
| InChIKey | MGGGGDZVIFIYRK-SNAWJCMRSA-N |
| SMILES | C1=CC(=CC=C1C(OCC(C)C)=O)C(OC\C=C\C)=O |