| SpectraBase Spectrum ID |
197gHHJteBO |
| Name |
4-Butyl-exo-3-methylbicyclo[4.3.0]non-4-en-7-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
206.167065327 u |
| Formula |
C14H22O |
| InChI |
InChI=1S/C14H22O/c1-3-4-5-11-9-13-12(8-10(11)2)6-7-14(13)15/h9-10,12-13H,3-8H2,1-2H3 |
| InChIKey |
NNBIKPXVSUBOLL-UHFFFAOYSA-N |
| Molecular Weight |
206.329 g/mol |
| SMILES |
C=1C2C(CCC2=O)CC(C1CCCC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.906883 |
![4-Butyl-exo-3-methylbicyclo[4.3.0]non-4-en-7-one](/api/spectrum/197gHHJteBO/structure.png?h=300&w=458 "4-Butyl-exo-3-methylbicyclo[4.3.0]non-4-en-7-one")
