| SpectraBase Spectrum ID |
3Qs9YYFAMcN |
| Name |
4-(2-Methylcyclopentyl)bicyclo[4.3.0]-2-oxanonan-3-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
222.161979946 u |
| Formula |
C14H22O2 |
| InChI |
InChI=1S/C14H22O2/c1-9-4-2-6-11(9)12-8-10-5-3-7-13(10)16-14(12)15/h9-13H,2-8H2,1H3 |
| InChIKey |
LCHYRWKXKHMZEI-UHFFFAOYSA-N |
| Molecular Weight |
222.328 g/mol |
| SMILES |
C1(C(CC2C(O1)CCC2)C1C(CCC1)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.961872 |
![4-(2-Methylcyclopentyl)bicyclo[4.3.0]-2-oxanonan-3-one](/api/spectrum/3Qs9YYFAMcN/structure.png?h=300&w=458 "4-(2-Methylcyclopentyl)bicyclo[4.3.0]-2-oxanonan-3-one")
