| SpectraBase Spectrum ID |
IJjCAOpT6fj |
| Name |
(4S,5R)-2-Methyl-4-oxidanyl-5-[(1S)-1,2,2-trimethylcyclopentyl]cyclohex-2-en-1-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
236.177630011 u |
| Formula |
C15H24O2 |
| InChI |
InChI=1S/C15H24O2/c1-10-8-13(17)11(9-12(10)16)15(4)7-5-6-14(15,2)3/h8,11,13,17H,5-7,9H2,1-4H3/t11-,13-,15-/m0/s1 |
| InChIKey |
IUKKWXIPRURLDK-WHOFXGATSA-N |
| Molecular Weight |
236.355 g/mol |
| SMILES |
[C@@]1([C@]2(C(CCC2)(C)C)C)(CC(=O)C(=C[C@@]1(O)[H])C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.864977 |
![(4S,5R)-2-methyl-4-oxidanyl-5-[(1S)-1,2,2-trimethylcyclopentyl]cyclohex-2-en-1-one](/api/spectrum/IJjCAOpT6fj/structure.png?h=300&w=458 "(4S,5R)-2-methyl-4-oxidanyl-5-[(1S)-1,2,2-trimethylcyclopentyl]cyclohex-2-en-1-one")
