| SpectraBase Spectrum ID |
7C3fl637wQB |
| Name |
Acetic acid, [4-(1-hydroxy-1-methylethyl)cyclohex-1-enyl]methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
212.141244501 u |
| Formula |
C12H20O3 |
| InChI |
InChI=1S/C12H20O3/c1-9(13)15-8-10-4-6-11(7-5-10)12(2,3)14/h4,11,14H,5-8H2,1-3H3 |
| InChIKey |
GAJGPKMCPGWYGC-UHFFFAOYSA-N |
| Molecular Weight |
212.289 g/mol |
| SMILES |
CC(C1CC=C(COC(C)=O)CC1)(O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.934568 |
![Acetic acid, [4-(1-hydroxy-1-methylethyl)cyclohex-1-enyl]methyl ester](/api/spectrum/7C3fl637wQB/structure.png?h=300&w=458 "Acetic acid, [4-(1-hydroxy-1-methylethyl)cyclohex-1-enyl]methyl ester")
