| SpectraBase Spectrum ID |
IFFeEBs3HYy |
| Name |
Cyclohexanecarboxylic acid, 2-(1-adamantyl)ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
290.224580204 u |
| Formula |
C19H30O2 |
| InChI |
InChI=1S/C19H30O2/c20-18(17-4-2-1-3-5-17)21-7-6-19-11-14-8-15(12-19)10-16(9-14)13-19/h14-17H,1-13H2/t14-,15+,16-,19+ |
| InChIKey |
GFOPWEUURBNRJY-IAKCYEPBSA-N |
| SMILES |
[C@]12(CC3(C[C@](C2)(C[C@](C1)(C3)[H])[H])CCOC(=O)C1CCCCC1)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.872888 |
