SpectraBase Spectrum ID |
2y6waArLvCK |
Name |
Methyl trans-4-(propan-2-yl)cyclohexane-1-carboxylate |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
184.146329882 u |
Formula |
C11H20O2 |
InChI |
InChI=1S/C11H20O2/c1-8(2)9-4-6-10(7-5-9)11(12)13-3/h8-10H,4-7H2,1-3H3/t9-,10- |
InChIKey |
VONQSXKGLDMZDL-MGCOHNPYSA-N |
Molecular Weight |
184.279 g/mol |
SMILES |
[C@]1(CC[C@@](CC1)(C(C)C)[H])(C(=O)OC)[H] |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.836092 |