| SpectraBase Spectrum ID |
GDhIXLcYdC8 |
| Name |
(1R,5S)-5-Methyl-4-oxabicyclo[3.3.1]nonan-3-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
154.099379689 u |
| Formula |
C9H14O2 |
| InChI |
InChI=1S/C9H14O2/c1-9-4-2-3-7(6-9)5-8(10)11-9/h7H,2-6H2,1H3/t7-,9-/m0/s1 |
| InChIKey |
JITNDKCAGXHQKH-CBAPKCEASA-N |
| Molecular Weight |
154.209 g/mol |
| SMILES |
C1(O[C@]2(CCC[C@](C2)(C1)[H])C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.933882 |
![(1R,5S)-5-methyl-4-oxabicyclo[3.3.1]nonan-3-one](/api/spectrum/GDhIXLcYdC8/structure.png?h=300&w=458 "(1R,5S)-5-methyl-4-oxabicyclo[3.3.1]nonan-3-one")
