| SpectraBase Compound ID | LfKve2KloH |
|---|---|
| InChI | InChI=1S/C16H22O4/c1-5-8-12(4)20-16(18)14-10-7-6-9-13(14)15(17)19-11(2)3/h6-7,9-12H,5,8H2,1-4H3 |
| InChIKey | POLWOQFNEJLEFT-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 | 4YhXESVwXCj |
|---|---|
| Name | Phthalic acid, 2-pentyl 2-propyl ester |
| 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/c1-5-8-12(4)20-16(18)14-10-7-6-9-13(14)15(17)19-11(2)3/h6-7,9-12H,5,8H2,1-4H3 |
| InChIKey | POLWOQFNEJLEFT-UHFFFAOYSA-N |
| Molecular Weight | 278.348 g/mol |
| SMILES | C1(=C(C=CC=C1)C(OC(C)C)=O)C(OC(C)CCC)=O |