| SpectraBase Compound ID | 17NZRFzJ9X |
|---|---|
| InChI | InChI=1S/C21H30O4/c1-16(2)10-9-15-24-20(22)18-13-7-8-14-19(18)21(23)25-17-11-5-3-4-6-12-17/h7-8,13-14,16-17H,3-6,9-12,15H2,1-2H3 |
| InChIKey | GCIITOBEUNTYBR-UHFFFAOYSA-N |
| Mol Weight | 346.47 g/mol |
| Molecular Formula | C21H30O4 |
| Exact Mass | 346.214409 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8OG1xW0U5KE |
|---|---|
| Name | Phthalic acid, cycloheptyl isohexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 346.214409442 u |
| Formula | C21H30O4 |
| InChI | InChI=1S/C21H30O4/c1-16(2)10-9-15-24-20(22)18-13-7-8-14-19(18)21(23)25-17-11-5-3-4-6-12-17/h7-8,13-14,16-17H,3-6,9-12,15H2,1-2H3 |
| InChIKey | GCIITOBEUNTYBR-UHFFFAOYSA-N |
| Molecular Weight | 346.467 g/mol |
| SMILES | CC(C)CCCOC(C1=C(C=CC=C1)C(OC1CCCCCC1)=O)=O |