| SpectraBase Compound ID | BWhaNsZCFb3 |
|---|---|
| InChI | InChI=1S/C19H26O4/c1-14(2)13-22-18(20)16-11-7-8-12-17(16)19(21)23-15-9-5-3-4-6-10-15/h7-8,11-12,14-15H,3-6,9-10,13H2,1-2H3 |
| InChIKey | YYDYPOMLUBKJGD-UHFFFAOYSA-N |
| Mol Weight | 318.41 g/mol |
| Molecular Formula | C19H26O4 |
| Exact Mass | 318.183109 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GCO9y8BD2Uk |
|---|---|
| Name | Phthalic acid, cycloheptyl isobutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 318.183109313 u |
| Formula | C19H26O4 |
| InChI | InChI=1S/C19H26O4/c1-14(2)13-22-18(20)16-11-7-8-12-17(16)19(21)23-15-9-5-3-4-6-10-15/h7-8,11-12,14-15H,3-6,9-10,13H2,1-2H3 |
| InChIKey | YYDYPOMLUBKJGD-UHFFFAOYSA-N |
| Molecular Weight | 318.413 g/mol |
| SMILES | CC(COC(C1=C(C=CC=C1)C(OC1CCCCCC1)=O)=O)C |