| SpectraBase Spectrum ID |
Fh6ReRDRDGP |
| Name |
2-Cyclohexen-1-one, 3,5,5-trimethyl-4-(3-oxo-1-butenyl)- |
| CAS Registry Number |
79734-43-3 |
| Comments |
Removed - expert review: contamination (CH2Cl2); A corrected record has been addded having SpectrumID: 1821281 |
| 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 |
CC(=O)\C=C\C1C(C)=CC(=O)CC1(C)C |
| SPLASH |
splash10-0a4i-6900000000-afd74ec76b832fd750fd |
| Source of Spectrum |
NP-4-4617-0 |
| 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 |
1103951 |
