| SpectraBase Compound ID | Hsp5QWT5zFD |
|---|---|
| InChI | InChI=1S/C22H34O4/c1-4-7-9-13-17-25-21(23)19-15-11-12-16-20(19)22(24)26-18(6-3)14-10-8-5-2/h11-12,15-16,18H,4-10,13-14,17H2,1-3H3 |
| InChIKey | VZELECNRDDCQIQ-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 | BM4fj3Wbaf1 |
|---|---|
| Name | Phthalic acid, hexyl oct-3-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/c1-4-7-9-13-17-25-21(23)19-15-11-12-16-20(19)22(24)26-18(6-3)14-10-8-5-2/h11-12,15-16,18H,4-10,13-14,17H2,1-3H3 |
| InChIKey | VZELECNRDDCQIQ-UHFFFAOYSA-N |
| Molecular Weight | 362.510 g/mol |
| SMILES | C(C1=CC=CC=C1C(OC(CCCCC)CC)=O)(OCCCCCC)=O |