| SpectraBase Spectrum ID |
DnLWxdkTmcq |
| Name |
4-tert-Butylcyclohexyl acetate II |
| Classification |
Chemical |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
198.161979946 u |
| Formula |
C12H22O2 |
| InChI |
InChI=1S/C12H22O2/c1-9(13)14-11-7-5-10(6-8-11)12(2,3)4/h10-11H,5-8H2,1-4H3 |
| InChIKey |
MBZRJSQZCBXRGK-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
198.306 g/mol |
| Nominal Mass |
198 u |
| Quality |
988 |
| Retention Index |
1420 |
| SMILES |
C1(C(C)(C)C)CCC(CC1)OC(=O)C |
| SPLASH |
splash10-053r-9100000000-d4b634f93748df072064 |
| Sample Comments |
tert-Butyl position uncertain |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
4-tert-butylcyclohexyl acetate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_005764 |
