| SpectraBase Spectrum ID |
CjTYkktl5zM |
| Name |
3-[(E)-3-Ketobut-1-enyl]-4,4-dimethyl-cyclohex-2-en-1-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
192.115029753 u |
| Formula |
C12H16O2 |
| InChI |
InChI=1S/C12H16O2/c1-9(13)4-5-10-8-11(14)6-7-12(10,2)3/h4-5,8H,6-7H2,1-3H3/b5-4+ |
| InChIKey |
RPRTVKRITBDLNQ-SNAWJCMRSA-N |
| Molecular Weight |
192.258 g/mol |
| SMILES |
C1(=CC(=O)CCC1(C)C)\C=C\C(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.863044 |
![3-[(E)-3-ketobut-1-enyl]-4,4-dimethyl-cyclohex-2-en-1-one](/api/spectrum/CjTYkktl5zM/structure.png?h=300&w=458 "3-[(E)-3-ketobut-1-enyl]-4,4-dimethyl-cyclohex-2-en-1-one")
