| SpectraBase Spectrum ID |
1qmhHZHa0e |
| Name |
3-[(E)-3-ketobut-1-enyl]-4,4-dimethyl-cyclopent-2-en-1-one |
| Alternate Name(s) |
4,4-dimethyl-3-[(E)-3-oxidanylidenebut-1-enyl]cyclopent-2-en-1-one
4,4-dimethyl-3-[(E)-3-oxobut-1-enyl]-1-cyclopent-2-enone
4,4-dimethyl-3-[(E)-3-oxobut-1-enyl]cyclopent-2-en-1-one |
| CAS Registry Number |
108946-77-6 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C11H14O2 |
| InChI |
InChI=1S/C11H14O2/c1-8(12)4-5-9-6-10(13)7-11(9,2)3/h4-6H,7H2,1-3H3/b5-4+ |
| InChIKey |
ITFUXJPQDHCWTM-SNAWJCMRSA-N |
| Molecular Weight |
178.231 g/mol |
| SMILES |
C=1(C(CC(C1)=O)(C)C)\C=C\C(=O)C |
| SPLASH |
splash10-03fr-0900000000-a7365cae01d7ba62bf71 |
| Source of Spectrum |
K-120-1147-10 |
| Wiley ID |
1174322 |
![3-[(E)-3-ketobut-1-enyl]-4,4-dimethyl-cyclopent-2-en-1-one](/api/spectrum/1qmhHZHa0e/structure.png?h=300&w=458 "3-[(E)-3-ketobut-1-enyl]-4,4-dimethyl-cyclopent-2-en-1-one")
