| SpectraBase Compound ID | 7ZF7HVd1JH0 |
|---|---|
| InChI | InChI=1S/C16H22O4/c1-4-12(5-2)11-20-16(18)14-9-7-8-13(10-14)15(17)19-6-3/h7-10,12H,4-6,11H2,1-3H3 |
| InChIKey | HFNHRZCRLQFGPN-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 | H3oyLyZMGU8 |
|---|---|
| Name | Isophthalic acid, ethyl 2-ethylbutyl 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/c1-4-12(5-2)11-20-16(18)14-9-7-8-13(10-14)15(17)19-6-3/h7-10,12H,4-6,11H2,1-3H3 |
| InChIKey | HFNHRZCRLQFGPN-UHFFFAOYSA-N |
| Molecular Weight | 278.348 g/mol |
| SMILES | C1(=CC=CC(=C1)C(=O)OCC)C(OCC(CC)CC)=O |