| SpectraBase Compound ID | 7ZOzMeb38IU |
|---|---|
| InChI | InChI=1S/C18H26O4/c1-13(2)9-11-21-17(19)15-7-5-6-8-16(15)18(20)22-12-10-14(3)4/h5-8,13-14H,9-12H2,1-4H3 |
| InChIKey | JANBFCARANRIKJ-UHFFFAOYSA-N |
| Mol Weight | 306.4 g/mol |
| Molecular Formula | C18H26O4 |
| Exact Mass | 306.183109 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FzB8hEr7R1T |
|---|---|
| Name | di(Isopentyl)phthalate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 306.183109313 u |
| Formula | C18H26O4 |
| InChI | InChI=1S/C18H26O4/c1-13(2)9-11-21-17(19)15-7-5-6-8-16(15)18(20)22-12-10-14(3)4/h5-8,13-14H,9-12H2,1-4H3 |
| InChIKey | JANBFCARANRIKJ-UHFFFAOYSA-N |
| Molecular Weight | 306.402 g/mol |
| SMILES | C1=CC(=C(C=C1)C(OCCC(C)C)=O)C(OCCC(C)C)=O |