| SpectraBase Compound ID | 9qVJR2XopjN |
|---|---|
| InChI | InChI=1S/C15H20O4/c1-4-8-11(3)19-15(17)13-10-7-6-9-12(13)14(16)18-5-2/h6-7,9-11H,4-5,8H2,1-3H3 |
| InChIKey | OKNDCJMCUYKDCT-UHFFFAOYSA-N |
| Mol Weight | 264.32 g/mol |
| Molecular Formula | C15H20O4 |
| Exact Mass | 264.136159 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1xogU4FldeR |
|---|---|
| Name | Phthalic acid, ethyl 2-pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 264.136159120 u |
| Formula | C15H20O4 |
| InChI | InChI=1S/C15H20O4/c1-4-8-11(3)19-15(17)13-10-7-6-9-12(13)14(16)18-5-2/h6-7,9-11H,4-5,8H2,1-3H3 |
| InChIKey | OKNDCJMCUYKDCT-UHFFFAOYSA-N |
| Molecular Weight | 264.321 g/mol |
| SMILES | CCCC(OC(=O)C1=C(C=CC=C1)C(OCC)=O)C |