| SpectraBase Compound ID | BzWqB542QMy |
|---|---|
| InChI | InChI=1S/C20H30O4/c1-4-7-12-16(11-6-3)24-20(22)18-14-10-9-13-17(18)19(21)23-15-8-5-2/h9-10,13-14,16H,4-8,11-12,15H2,1-3H3 |
| InChIKey | XNKIHSDVYXJECE-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 | 1mmwwpnvTs8 |
|---|---|
| Name | Phthalic acid, butyl 4-octyl 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/c1-4-7-12-16(11-6-3)24-20(22)18-14-10-9-13-17(18)19(21)23-15-8-5-2/h9-10,13-14,16H,4-8,11-12,15H2,1-3H3 |
| InChIKey | XNKIHSDVYXJECE-UHFFFAOYSA-N |
| Molecular Weight | 334.456 g/mol |
| SMILES | CCCCOC(C1=C(C(OC(CCCC)CCC)=O)C=CC=C1)=O |