| SpectraBase Compound ID | JhX7SNAVSzK |
|---|---|
| InChI | InChI=1S/C16H22O4/c1-5-14(11(3)4)20-16(18)13-10-8-7-9-12(13)15(17)19-6-2/h7-11,14H,5-6H2,1-4H3 |
| InChIKey | UYVFSZGWMORNQD-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 | CB5iNjzY2tY |
|---|---|
| Name | Phthalic acid, ethyl 2-methylpent-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/c1-5-14(11(3)4)20-16(18)13-10-8-7-9-12(13)15(17)19-6-2/h7-11,14H,5-6H2,1-4H3 |
| InChIKey | UYVFSZGWMORNQD-UHFFFAOYSA-N |
| Molecular Weight | 278.348 g/mol |
| SMILES | C1(=CC=CC=C1C(OC(CC)C(C)C)=O)C(=O)OCC |