| SpectraBase Compound ID | 42LzaSYAJNH |
|---|---|
| InChI | InChI=1S/C19H30O2/c1-13(2)16-9-8-15(4)17(11-16)21-18(20)10-14(3)12-19(5,6)7/h8-9,11,13-14H,10,12H2,1-7H3 |
| InChIKey | RLEOHAZINPWGHO-UHFFFAOYSA-N |
| Mol Weight | 290.45 g/mol |
| Molecular Formula | C19H30O2 |
| Exact Mass | 290.22458 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6qRqffFbiNj |
|---|---|
| Name | 5-Isopropyl-2-methylphenyl 3,5,5-trimethylhexanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 290.224580204 u |
| Formula | C19H30O2 |
| InChI | InChI=1S/C19H30O2/c1-13(2)16-9-8-15(4)17(11-16)21-18(20)10-14(3)12-19(5,6)7/h8-9,11,13-14H,10,12H2,1-7H3 |
| InChIKey | RLEOHAZINPWGHO-UHFFFAOYSA-N |
| SMILES | C1(=CC=C(C(=C1)OC(CC(CC(C)(C)C)C)=O)C)C(C)C |