| SpectraBase Spectrum ID |
G0n2nJ6YjHE |
| Name |
4-Tert-butyl-1-cyclohexen-1-ol, hexanoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
252.208930140 u |
| Formula |
C16H28O2 |
| InChI |
InChI=1S/C16H28O2/c1-5-6-7-8-15(17)18-14-11-9-13(10-12-14)16(2,3)4/h11,13H,5-10,12H2,1-4H3 |
| InChIKey |
BGZIFAVSQPGNJR-UHFFFAOYSA-N |
| Molecular Weight |
252.398 g/mol |
| SMILES |
CCCCCC(OC1=CCC(CC1)C(C)(C)C)=O |
| Spectrum/Structure Validation Score (Raman) |
0.979326 |
