| SpectraBase Compound ID | A1iqOXEx0uI |
|---|---|
| InChI | InChI=1S/C16H20O4/c1-4-9-19-15(17)13-6-5-7-14(11-13)16(18)20-10-8-12(2)3/h5-8,11H,4,9-10H2,1-3H3 |
| InChIKey | JHRQSLHFZANJKR-UHFFFAOYSA-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 | 6d0XaHenvTO |
|---|---|
| Name | Isophthalic acid, 3-methylbut-2-en-1-yl propyl 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/c1-4-9-19-15(17)13-6-5-7-14(11-13)16(18)20-10-8-12(2)3/h5-8,11H,4,9-10H2,1-3H3 |
| InChIKey | JHRQSLHFZANJKR-UHFFFAOYSA-N |
| SMILES | CCCOC(C=1C=C(C(OCC=C(C)C)=O)C=CC1)=O |