| SpectraBase Compound ID | 2wZYALnV0Z8 |
|---|---|
| InChI | InChI=1S/C15H20O4/c1-4-13(5-2)19-15(17)12-9-7-8-11(10-12)14(16)18-6-3/h7-10,13H,4-6H2,1-3H3 |
| InChIKey | IOCQLUYFOAPCNI-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 | JrxxKIOlApK |
|---|---|
| Name | Isophthalic acid, ethyl 3-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/c1-4-13(5-2)19-15(17)12-9-7-8-11(10-12)14(16)18-6-3/h7-10,13H,4-6H2,1-3H3 |
| InChIKey | IOCQLUYFOAPCNI-UHFFFAOYSA-N |
| Molecular Weight | 264.321 g/mol |
| SMILES | C1(=CC(=CC=C1)C(OC(CC)CC)=O)C(OCC)=O |