| SpectraBase Compound ID | 3iXWbcOoXfh |
|---|---|
| InChI | InChI=1S/C20H30O4/c1-5-8-14-23-19(21)16-12-9-10-13-17(16)20(22)24-18(7-3)15(4)11-6-2/h9-10,12-13,15,18H,5-8,11,14H2,1-4H3 |
| InChIKey | NKHKZMPSOKNGPV-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 | E1fGKhxH943 |
|---|---|
| Name | Phthalic acid, butyl 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/c1-5-8-14-23-19(21)16-12-9-10-13-17(16)20(22)24-18(7-3)15(4)11-6-2/h9-10,12-13,15,18H,5-8,11,14H2,1-4H3 |
| InChIKey | NKHKZMPSOKNGPV-UHFFFAOYSA-N |
| Molecular Weight | 334.456 g/mol |
| SMILES | C(C1=CC=CC=C1C(OC(CC)C(C)CCC)=O)(OCCCC)=O |