![3-Methyl-2-[4'-(4""-METHYLPHENYL0-4'-oxobutyl]cyclopent-2-en-1-one](/api/spectrum/ESaUwMLoTk2/structure.png?h=300&w=458 "3-Methyl-2-[4'-(4\"\"-METHYLPHENYL0-4'-oxobutyl]cyclopent-2-en-1-one")
| SpectraBase Compound ID | GQiAhMueiPV |
|---|---|
| InChI | InChI=1S/C17H20O2/c1-12-6-9-14(10-7-12)16(18)5-3-4-15-13(2)8-11-17(15)19/h6-7,9-10H,3-5,8,11H2,1-2H3 |
| InChIKey | SVERALIYBPSADI-UHFFFAOYSA-N |
| Mol Weight | 256.34 g/mol |
| Molecular Formula | C17H20O2 |
| Exact Mass | 256.14633 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ESaUwMLoTk2 |
|---|---|
| Name | 3-Methyl-2-[4'-(4""-METHYLPHENYL0-4'-oxobutyl]cyclopent-2-en-1-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 256.146329882 u |
| Formula | C17H20O2 |
| InChI | InChI=1S/C17H20O2/c1-12-6-9-14(10-7-12)16(18)5-3-4-15-13(2)8-11-17(15)19/h6-7,9-10H,3-5,8,11H2,1-2H3 |
| InChIKey | SVERALIYBPSADI-UHFFFAOYSA-N |
| Molecular Weight | 256.345 g/mol |
| SMILES | C1(=C(CCC1=O)C)CCCC(C1=CC=C(C=C1)C)=O |