| SpectraBase Compound ID | 5bvKRGNhRev |
|---|---|
| InChI | InChI=1S/C15H22O2/c1-3-17-15(16)12-10-13(2)9-11-14-7-5-4-6-8-14/h4-8,13H,3,9-12H2,1-2H3 |
| InChIKey | QDXYLUVHOMLHRW-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 | Glubeb7nZvB |
|---|---|
| Name | Ethyl 4-methyl-6-phenylhexanoate |
| 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/c1-3-17-15(16)12-10-13(2)9-11-14-7-5-4-6-8-14/h4-8,13H,3,9-12H2,1-2H3 |
| InChIKey | QDXYLUVHOMLHRW-UHFFFAOYSA-N |
| Molecular Weight | 234.339 g/mol |
| SMILES | C=1C=C(C=CC1)CCC(CCC(OCC)=O)C |