| SpectraBase Compound ID | 8AZYenl3CUP |
|---|---|
| InChI | InChI=1S/C16H22O4/c1-4-10-19-15(17)13-7-5-6-8-14(13)16(18)20-11-9-12(2)3/h5-8,12H,4,9-11H2,1-3H3 |
| InChIKey | YYXOSESSUHFKIG-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 | 510gHNJa4Pi |
|---|---|
| Name | Phthalic acid, 3-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)13-7-5-6-8-14(13)16(18)20-11-9-12(2)3/h5-8,12H,4,9-11H2,1-3H3 |
| InChIKey | YYXOSESSUHFKIG-UHFFFAOYSA-N |
| Molecular Weight | 278.348 g/mol |
| SMILES | C1=C(C(=CC=C1)C(OCCC)=O)C(OCCC(C)C)=O |