| SpectraBase Compound ID | FtUx5toEgep |
|---|---|
| InChI | InChI=1S/C17H22O4/c1-20-16(18)14-9-5-6-10-15(14)17(19)21-12-11-13-7-3-2-4-8-13/h5-6,9-10,13H,2-4,7-8,11-12H2,1H3 |
| InChIKey | IJBRPOPYYWCUHM-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 | KgMvIixopy7 |
|---|---|
| Name | Phthalic acid, 2-cyclohexylethyl methyl 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/c1-20-16(18)14-9-5-6-10-15(14)17(19)21-12-11-13-7-3-2-4-8-13/h5-6,9-10,13H,2-4,7-8,11-12H2,1H3 |
| InChIKey | IJBRPOPYYWCUHM-UHFFFAOYSA-N |
| SMILES | C1(=CC=CC=C1C(OC)=O)C(OCCC1CCCCC1)=O |