| SpectraBase Spectrum ID |
Kez87PTctZo |
| Name |
(4-Tert-butylcyclohexyl)methyl acetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
212.177630011 u |
| Formula |
C13H24O2 |
| InChI |
InChI=1S/C13H24O2/c1-10(14)15-9-11-5-7-12(8-6-11)13(2,3)4/h11-12H,5-9H2,1-4H3/t11-,12- |
| InChIKey |
WKUHCAGBLASMGF-HAQNSBGRSA-N |
| Molecular Weight |
212.333 g/mol |
| SMILES |
C(=O)(OC[C@]1(CC[C@](C(C)(C)C)(CC1)[H])[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.941474 |
