| SpectraBase Compound ID | FD1Cr6sUL40 |
|---|---|
| InChI | InChI=1S/C16H22O4/c1-4-9-12(5-2)20-16(18)14-11-8-7-10-13(14)15(17)19-6-3/h7-8,10-12H,4-6,9H2,1-3H3 |
| InChIKey | LFMMSJVCKQEURY-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 | 5MEbifhchHZ |
|---|---|
| Name | Phthalic acid, ethyl hex-3-yl 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/c1-4-9-12(5-2)20-16(18)14-11-8-7-10-13(14)15(17)19-6-3/h7-8,10-12H,4-6,9H2,1-3H3 |
| InChIKey | LFMMSJVCKQEURY-UHFFFAOYSA-N |
| Molecular Weight | 278.348 g/mol |
| SMILES | C1=CC=CC(=C1C(OC(CC)CCC)=O)C(OCC)=O |