| SpectraBase Compound ID | 9H52bWdLDn9 |
|---|---|
| InChI | InChI=1S/C17H24O4/c1-5-10-20-16(18)14-8-6-7-9-15(14)17(19)21-13(4)11-12(2)3/h6-9,12-13H,5,10-11H2,1-4H3 |
| InChIKey | LSKWGRRUHBWSLX-UHFFFAOYSA-N |
| Mol Weight | 292.38 g/mol |
| Molecular Formula | C17H24O4 |
| Exact Mass | 292.167459 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4Z52yhRefae |
|---|---|
| Name | Phthalic acid, 4-methylpent-2-yl propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 292.167459249 u |
| Formula | C17H24O4 |
| InChI | InChI=1S/C17H24O4/c1-5-10-20-16(18)14-8-6-7-9-15(14)17(19)21-13(4)11-12(2)3/h6-9,12-13H,5,10-11H2,1-4H3 |
| InChIKey | LSKWGRRUHBWSLX-UHFFFAOYSA-N |
| SMILES | C1=CC=CC(=C1C(OCCC)=O)C(OC(C)CC(C)C)=O |