| SpectraBase Compound ID | 8oSElPliEkD |
|---|---|
| InChI | InChI=1S/C17H22O4/c1-2-20-16(18)14-11-7-8-12-15(14)17(19)21-13-9-5-3-4-6-10-13/h7-8,11-13H,2-6,9-10H2,1H3 |
| InChIKey | ZGDLEHMOBIIEQH-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 | Lm5QauaFeQq |
|---|---|
| Name | Phthalic acid, cycloheptyl ethyl 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/c1-2-20-16(18)14-11-7-8-12-15(14)17(19)21-13-9-5-3-4-6-10-13/h7-8,11-13H,2-6,9-10H2,1H3 |
| InChIKey | ZGDLEHMOBIIEQH-UHFFFAOYSA-N |
| SMILES | C1C(CCCCC1)OC(=O)C1=C(C=CC=C1)C(OCC)=O |