| SpectraBase Compound ID | LU6gKfK0dVA |
|---|---|
| InChI | InChI=1S/C18H26O4/c1-12(2)10-14(5)22-18(20)16-9-7-6-8-15(16)17(19)21-11-13(3)4/h6-9,12-14H,10-11H2,1-5H3 |
| InChIKey | BKDPCTNXDMCHGN-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 | Bl82goXdUNt |
|---|---|
| Name | Phthalic acid, isobutyl 4-methylpent-2-yl ester |
| 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/c1-12(2)10-14(5)22-18(20)16-9-7-6-8-15(16)17(19)21-11-13(3)4/h6-9,12-14H,10-11H2,1-5H3 |
| InChIKey | BKDPCTNXDMCHGN-UHFFFAOYSA-N |
| Molecular Weight | 306.402 g/mol |
| SMILES | C1=CC=CC(=C1C(OCC(C)C)=O)C(OC(C)CC(C)C)=O |