| SpectraBase Compound ID | 7k2Zn6ttJt8 |
|---|---|
| InChI | InChI=1S/C22H34O4/c1-5-6-7-10-16-25-21(23)19-14-8-9-15-20(19)22(24)26-18(4)13-11-12-17(2)3/h8-9,14-15,17-18H,5-7,10-13,16H2,1-4H3 |
| InChIKey | JLAJZZOXSCVPLC-UHFFFAOYSA-N |
| Mol Weight | 362.5 g/mol |
| Molecular Formula | C22H34O4 |
| Exact Mass | 362.24571 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GJl8ovKuNtz |
|---|---|
| Name | Phthalic acid, hexyl 6-methylhept-2-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 362.245709571 u |
| Formula | C22H34O4 |
| InChI | InChI=1S/C22H34O4/c1-5-6-7-10-16-25-21(23)19-14-8-9-15-20(19)22(24)26-18(4)13-11-12-17(2)3/h8-9,14-15,17-18H,5-7,10-13,16H2,1-4H3 |
| InChIKey | JLAJZZOXSCVPLC-UHFFFAOYSA-N |
| Molecular Weight | 362.510 g/mol |
| SMILES | C(C1=CC=CC=C1C(OC(C)CCCC(C)C)=O)(OCCCCCC)=O |