| SpectraBase Spectrum ID |
8H79dSOib6c |
| Name |
Bicyclo[3.3.1]nonan-2-one, 7-ethenyl-7-methyl-, endo-(.+-.)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
178.135765199 u |
| Formula |
C12H18O |
| InChI |
InChI=1S/C12H18O/c1-3-12(2)7-9-4-5-11(13)10(6-9)8-12/h3,9-10H,1,4-8H2,2H3 |
| InChIKey |
GNNFGPWDCXLFEV-UHFFFAOYSA-N |
| Molecular Weight |
178.275 g/mol |
| SMILES |
C12C(=O)CCC(C2)CC(C1)(C=C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.870178 |
![Bicyclo[3.3.1]nonan-2-one, 7-ethenyl-7-methyl-, endo-(.+-.)-](/api/spectrum/8H79dSOib6c/structure.png?h=300&w=458 "Bicyclo[3.3.1]nonan-2-one, 7-ethenyl-7-methyl-, endo-(.+-.)-")
