| SpectraBase Spectrum ID |
4kDDkDDeYdu |
| Name |
(3S,4R)-3-Methyl-4-pivaloyloxy-3-vinylcyclohexan-1-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
238.156894565 u |
| Formula |
C14H22O3 |
| InChI |
InChI=1S/C14H22O3/c1-6-14(5)9-10(15)7-8-11(14)17-12(16)13(2,3)4/h6,11H,1,7-9H2,2-5H3/t11-,14-/m1/s1 |
| InChIKey |
AEGSGVYLZKZXDT-BXUZGUMPSA-N |
| Molecular Weight |
238.327 g/mol |
| SMILES |
C(O[C@]1([C@@](CC(CC1)=O)(C=C)C)[H])(C(C)(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.850952 |
