| SpectraBase Compound ID | 6dRmMg1Ibnd |
|---|---|
| InChI | InChI=1S/C20H30O4/c1-6-10-15(5)18(7-2)24-20(22)17-12-9-8-11-16(17)19(21)23-13-14(3)4/h8-9,11-12,14-15,18H,6-7,10,13H2,1-5H3 |
| InChIKey | AQWIMODDZOPCNG-UHFFFAOYSA-N |
| Mol Weight | 334.46 g/mol |
| Molecular Formula | C20H30O4 |
| Exact Mass | 334.214409 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2GJBn3e3uzB |
|---|---|
| Name | Phthalic acid, isobutyl 4-methylhept-3-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 334.214409442 u |
| Formula | C20H30O4 |
| InChI | InChI=1S/C20H30O4/c1-6-10-15(5)18(7-2)24-20(22)17-12-9-8-11-16(17)19(21)23-13-14(3)4/h8-9,11-12,14-15,18H,6-7,10,13H2,1-5H3 |
| InChIKey | AQWIMODDZOPCNG-UHFFFAOYSA-N |
| Molecular Weight | 334.456 g/mol |
| SMILES | C(C1=CC=CC=C1C(OC(CC)C(C)CCC)=O)(OCC(C)C)=O |