| SpectraBase Compound ID | 42s2TJRcDbU |
|---|---|
| InChI | InChI=1S/C16H22O4/c1-4-10-19-15(17)13-8-6-7-9-14(13)16(18)20-11-12(3)5-2/h6-9,12H,4-5,10-11H2,1-3H3 |
| InChIKey | JAVHHOWZJLFVFA-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 | 55JoVgpp1tX |
|---|---|
| Name | Phthalic acid, 2-methylbutyl propyl 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/c1-4-10-19-15(17)13-8-6-7-9-14(13)16(18)20-11-12(3)5-2/h6-9,12H,4-5,10-11H2,1-3H3 |
| InChIKey | JAVHHOWZJLFVFA-UHFFFAOYSA-N |
| Molecular Weight | 278.348 g/mol |
| SMILES | C(C1=C(C=CC=C1)C(OCC(CC)C)=O)(OCCC)=O |