| SpectraBase Spectrum ID |
FuSicihuLwx |
| Name |
(2R*,4S*)-4-Tert.-butyl-2-(2-oxopropyl)-cyclohexane-1-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
210.161979946 u |
| Formula |
C13H22O2 |
| InChI |
InChI=1S/C13H22O2/c1-9(14)7-10-8-11(13(2,3)4)5-6-12(10)15/h10-11H,5-8H2,1-4H3/t10-,11-/m0/s1 |
| InChIKey |
VPJWQRTZZMOYSE-QWRGUYRKSA-N |
| Molecular Weight |
210.317 g/mol |
| SMILES |
C(=O)(C[C@@]1(C(=O)CC[C@@](C1)(C(C)(C)C)[H])[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.962551 |
