| SpectraBase Compound ID | 3I6Bgs0WgI1 |
|---|---|
| InChI | InChI=1S/C17H22O4/c1-2-3-6-12-20-16(18)14-10-4-5-11-15(14)17(19)21-13-8-7-9-13/h4-5,10-11,13H,2-3,6-9,12H2,1H3 |
| InChIKey | GETIAYIPFLSSMZ-UHFFFAOYSA-N |
| Mol Weight | 290.36 g/mol |
| Molecular Formula | C17H22O4 |
| Exact Mass | 290.151809 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8x9YNajuJbQ |
|---|---|
| Name | Phthalic acid, cyclobutyl pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 290.151809184 u |
| Formula | C17H22O4 |
| InChI | InChI=1S/C17H22O4/c1-2-3-6-12-20-16(18)14-10-4-5-11-15(14)17(19)21-13-8-7-9-13/h4-5,10-11,13H,2-3,6-9,12H2,1H3 |
| InChIKey | GETIAYIPFLSSMZ-UHFFFAOYSA-N |
| SMILES | C(COC(C1=C(C=CC=C1)C(OC1CCC1)=O)=O)CCC |