| SpectraBase Spectrum ID |
BdT8dKEhNiR |
| Name |
2-Cyclohexen-1-one, 3,5,5-trimethyl-4-(3-oxo-1-butenyl)- |
| CAS Registry Number |
20194-68-7 |
| Comments |
Edited after expert review for CH2Cl2 contamination - Original record with SpectrumID 1204693 moved to the Legacy library |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H18O2 |
| InChI |
InChI=1S/C13H18O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h5-7,12H,8H2,1-4H3/b6-5+ |
| InChIKey |
MLYOGKJJENFVJN-AATRIKPKSA-N |
| Molecular Weight |
206.285 g/mol |
| SMILES |
C=1(C(C(C)(C)CC(C1)=O)\C=C\C(=O)C)C |
| SPLASH |
splash10-0a4i-5900000000-b9e591d1ef2b73022a43 |
| Source of Spectrum |
PR-239-0-0 |
| Synonyms |
3,5,5-Trimethyl-4-[(1E)-3-oxo-1-butenyl]-2-cyclohexen-1-one
3,5,5-trimethyl-4-[(E)-3-oxidanylidenebut-1-enyl]cyclohex-2-en-1-one
3-Oxo-.alpha.-ionone
3,5,5-trimethyl-4-[(E)-3-oxobut-1-enyl]-1-cyclohex-2-enone
3,5,5-trimethyl-4-[(E)-3-oxobut-1-enyl]cyclohex-2-en-1-one
4-[(E)-3-ketobut-1-enyl]-3,5,5-trimethyl-cyclohex-2-en-1-one |
| Wiley ID |
1821282 |
