| SpectraBase Compound ID | KMElHYg8yNe |
|---|---|
| InChI | InChI=1S/C22H34O4/c1-4-7-8-11-16-25-21(23)19-14-9-10-15-20(19)22(24)26-17-18(12-5-2)13-6-3/h9-10,14-15,18H,4-8,11-13,16-17H2,1-3H3 |
| InChIKey | NHFUGUHIJYOTQM-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 | I1OibM8Tbxa |
|---|---|
| Name | Phthalic acid, hexyl 2-propylpentyl 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/c1-4-7-8-11-16-25-21(23)19-14-9-10-15-20(19)22(24)26-17-18(12-5-2)13-6-3/h9-10,14-15,18H,4-8,11-13,16-17H2,1-3H3 |
| InChIKey | NHFUGUHIJYOTQM-UHFFFAOYSA-N |
| Molecular Weight | 362.510 g/mol |
| SMILES | C(C1=CC=CC=C1C(OCC(CCC)CCC)=O)(OCCCCCC)=O |