| SpectraBase Compound ID | JamlREPTM8z |
|---|---|
| InChI | InChI=1S/C18H22O2/c1-17(2)12-7-13-18(17,3)16(20)11-10-15(19)14-8-5-4-6-9-14/h4-6,8-11H,7,12-13H2,1-3H3/b11-10+ |
| InChIKey | QONLJGVEYAKECI-ZHACJKMWSA-N |
| Mol Weight | 270.37 g/mol |
| Molecular Formula | C18H22O2 |
| Exact Mass | 270.16198 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7jTpCYsoLON |
|---|---|
| Name | 1-Phenyl-4-(1,2,2-trimethyl-cyclopentyl)-but-2-ene-1,4-dione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 270.161979946 u |
| Formula | C18H22O2 |
| InChI | InChI=1S/C18H22O2/c1-17(2)12-7-13-18(17,3)16(20)11-10-15(19)14-8-5-4-6-9-14/h4-6,8-11H,7,12-13H2,1-3H3/b11-10+ |
| InChIKey | QONLJGVEYAKECI-ZHACJKMWSA-N |
| Molecular Weight | 270.372 g/mol |
| SMILES | CC1(C)C(C(=O)\C=C\C(C2=CC=CC=C2)=O)(CCC1)C |