| SpectraBase Spectrum ID |
1Q6llAMtT8H |
| Name |
(R)-1,4-Dimethyl-4-(4-formylpent-3-en-1-yl)cyclohepten-5-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
234.161979946 u |
| Formula |
C15H22O2 |
| InChI |
InChI=1S/C15H22O2/c1-12-6-7-14(17)15(3,10-8-12)9-4-5-13(2)11-16/h5,8,11H,4,6-7,9-10H2,1-3H3/b13-5+/t15-/m1/s1 |
| InChIKey |
DTLCSQJGLMHFOS-DTHCKZEYSA-N |
| Molecular Weight |
234.339 g/mol |
| SMILES |
[C@]1(C(=O)CCC(=CC1)C)(CC\C=C\(C=O)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.824982 |
