| SpectraBase Compound ID | DJLATGSBYg6 |
|---|---|
| InChI | InChI=1S/C16H22O4/c1-5-19-15(17)13-8-6-7-9-14(13)16(18)20-12(4)10-11(2)3/h6-9,11-12H,5,10H2,1-4H3 |
| InChIKey | SMFKATUJRBAJBY-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 | Hl2Hy27lDMp |
|---|---|
| Name | Phthalic acid, ethyl 4-methylpent-2-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/c1-5-19-15(17)13-8-6-7-9-14(13)16(18)20-12(4)10-11(2)3/h6-9,11-12H,5,10H2,1-4H3 |
| InChIKey | SMFKATUJRBAJBY-UHFFFAOYSA-N |
| Molecular Weight | 278.348 g/mol |
| SMILES | C1=CC=CC(=C1C(OCC)=O)C(OC(C)CC(C)C)=O |