| SpectraBase Spectrum ID |
K9U2sCRPyW8 |
| Name |
2-Propyl-3-methyl-4-methylene-5-hexylcyclopent-2-enone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
234.198365456 u |
| Formula |
C16H26O |
| InChI |
InChI=1S/C16H26O/c1-5-7-8-9-11-15-13(4)12(3)14(10-6-2)16(15)17/h15H,4-11H2,1-3H3 |
| InChIKey |
NPTVLRJCYWPJID-UHFFFAOYSA-N |
| Molecular Weight |
234.383 g/mol |
| SMILES |
C=1(C(C(CCCCCC)C(C1CCC)=O)=C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.960559 |
