| SpectraBase Compound ID | K6PruiLCVUb |
|---|---|
| InChI | InChI=1S/C16H22O4/c1-5-11(3)19-15(17)13-9-7-8-10-14(13)16(18)20-12(4)6-2/h7-12H,5-6H2,1-4H3 |
| InChIKey | HAPGVMADJBQOGC-UHFFFAOYSA-N |
| Mol Weight | 278.35 g/mol |
| Molecular Formula | C16H22O4 |
| Exact Mass | 278.151809 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KGV1PV457nE |
|---|---|
| Name | di-sec-Butyl phthalate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 278.151809184 u |
| Formula | C16H22O4 |
| InChI | InChI=1S/C16H22O4/c1-5-11(3)19-15(17)13-9-7-8-10-14(13)16(18)20-12(4)6-2/h7-12H,5-6H2,1-4H3 |
| InChIKey | HAPGVMADJBQOGC-UHFFFAOYSA-N |
| Molecular Weight | 278.348 g/mol |
| SMILES | C1=CC=C(C(=C1)C(=O)OC(C)CC)C(=O)OC(C)CC |