| SpectraBase Compound ID | 4pvoq5iTdss |
|---|---|
| InChI | InChI=1S/C16H20O4/c1-11(2)9-19-15(17)13-6-5-7-14(8-13)16(18)20-10-12(3)4/h5-8,12H,1,9-10H2,2-4H3 |
| InChIKey | LYYMINXRIAPCJW-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 | fdwjZTLOU7 |
|---|---|
| Name | Isophthalic acid, isobutyl 2-methylprop-2-en-1-yl 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/c1-11(2)9-19-15(17)13-6-5-7-14(8-13)16(18)20-10-12(3)4/h5-8,12H,1,9-10H2,2-4H3 |
| InChIKey | LYYMINXRIAPCJW-UHFFFAOYSA-N |
| SMILES | C(C1=CC(=CC=C1)C(OCC(C)C)=O)(OCC(C)=C)=O |