SpectraBase Spectrum ID |
DJXyULMy65T |
Name |
4,5-Diisopropyl-2-methyl-1-cyclopenten-1-yl methyl ketone |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
208.182715392 u |
Formula |
C14H24O |
InChI |
InChI=1S/C14H24O/c1-8(2)12-7-10(5)14(11(6)15)13(12)9(3)4/h8-9,12-13H,7H2,1-6H3 |
InChIKey |
XWDUKGMZHRBSFM-UHFFFAOYSA-N |
Molecular Weight |
208.345 g/mol |
SMILES |
C1C(=C(C(C1C(C)C)C(C)C)C(C)=O)C |
Spectrum/Structure Validation Score (Raman) |
0.961702 |