| SpectraBase Compound ID | 7w4dcUoZuay |
|---|---|
| InChI | InChI=1S/C22H34O4/c1-15(2)11-13-17(5)25-21(23)19-9-7-8-10-20(19)22(24)26-18(6)14-12-16(3)4/h7-10,15-18H,11-14H2,1-6H3 |
| InChIKey | QMGNAIMYJBQARN-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 | 1QbZKZE4ZPB |
|---|---|
| Name | Phthalic acid, di(5-methylhex-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/c1-15(2)11-13-17(5)25-21(23)19-9-7-8-10-20(19)22(24)26-18(6)14-12-16(3)4/h7-10,15-18H,11-14H2,1-6H3 |
| InChIKey | QMGNAIMYJBQARN-UHFFFAOYSA-N |
| Molecular Weight | 362.510 g/mol |
| SMILES | C1=CC=CC(=C1C(OC(C)CCC(C)C)=O)C(OC(C)CCC(C)C)=O |