| SpectraBase Compound ID | Ek6ovlQcarH |
|---|---|
| InChI | InChI=1S/C15H22O2/c1-5-6-7-15(16)17-14-10-13(11(2)3)9-8-12(14)4/h8-11H,5-7H2,1-4H3 |
| InChIKey | YVGJXKBNWWHWDX-UHFFFAOYSA-N |
| Mol Weight | 234.34 g/mol |
| Molecular Formula | C15H22O2 |
| Exact Mass | 234.16198 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LvAqUBfZQkr |
|---|---|
| Name | 5-Isopropyl-2-methylphenyl pentanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 234.161979946 u |
| Formula | C15H22O2 |
| InChI | InChI=1S/C15H22O2/c1-5-6-7-15(16)17-14-10-13(11(2)3)9-8-12(14)4/h8-11H,5-7H2,1-4H3 |
| InChIKey | YVGJXKBNWWHWDX-UHFFFAOYSA-N |
| Molecular Weight | 234.339 g/mol |
| SMILES | C1(=CC=C(C(=C1)OC(CCCC)=O)C)C(C)C |