| SpectraBase Spectrum ID |
KeNwiOEl2Dp |
| Name |
(S)-5-Tert-butyl-2-cyclohexen-1-one (2S,3S)-2,3-butanediol ketal |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
224.177630011 u |
| Formula |
C14H24O2 |
| InChI |
InChI=1S/C14H24O2/c1-13(2,3)12-7-6-8-14(11-12)15-9-4-5-10-16-14/h6,8,12H,4-5,7,9-11H2,1-3H3/t12-/m0/s1 |
| InChIKey |
UQOBFIBJFHKQGW-LBPRGKRZSA-N |
| Molecular Weight |
224.344 g/mol |
| SMILES |
C12(C[C@@](C(C)(C)C)(CC=C2)[H])OCCCCO1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.967414 |
