| SpectraBase Spectrum ID |
Lba4vSD5Wzj |
| Name |
3-Buten-2-one, 4-(5-isopropenyl-2-methyl-1-cyclopenten-1-yl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
190.135765199 u |
| Formula |
C13H18O |
| InChI |
InChI=1S/C13H18O/c1-9(2)12-7-5-10(3)13(12)8-6-11(4)14/h6,8,12H,1,5,7H2,2-4H3/b8-6+ |
| InChIKey |
APAYWJWIXFAXHV-SOFGYWHQSA-N |
| Molecular Weight |
190.286 g/mol |
| SMILES |
C1(C(=C(CC1)C)\C=C\C(C)=O)C(C)=C |
| Spectrum/Structure Validation Score (Raman) |
0.750489 |
