| SpectraBase Compound ID | f0QYxkFSs8 |
|---|---|
| InChI | InChI=1S/C16H20O4/c1-2-3-11-19-15(17)13-9-4-5-10-14(13)16(18)20-12-7-6-8-12/h4-5,9-10,12H,2-3,6-8,11H2,1H3 |
| InChIKey | GZHMCURKVAXMEY-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 | 6ftr2oHmLqk |
|---|---|
| Name | Phthalic acid, butyl cyclobutyl 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/c1-2-3-11-19-15(17)13-9-4-5-10-14(13)16(18)20-12-7-6-8-12/h4-5,9-10,12H,2-3,6-8,11H2,1H3 |
| InChIKey | GZHMCURKVAXMEY-UHFFFAOYSA-N |
| SMILES | CCCCOC(C1=C(C(OC2CCC2)=O)C=CC=C1)=O |