| SpectraBase Spectrum ID |
ICeeai9ke8H |
| Name |
Cyclohexanecarboxylic acid, 2-hydroxy-6-methyl-1-(4-methyl-3-pentenyl)-, ethyl ester, [1R-(1.alpha.,2.alpha.,6.alpha.)]- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
268.203844759 u |
| Formula |
C16H28O3 |
| InChI |
InChI=1S/C16H28O3/c1-5-19-15(18)16(11-7-8-12(2)3)13(4)9-6-10-14(16)17/h8,13-14,17H,5-7,9-11H2,1-4H3/t13-,14+,16-/m1/s1 |
| InChIKey |
HSUWSMZGQAOLFJ-IJEWVQPXSA-N |
| SMILES |
[C@@]1(C(=O)OCC)([C@@](O)(CCC[C@]1(C)[H])[H])CCC=C(C)C |
![Cyclohexanecarboxylic acid, 2-hydroxy-6-methyl-1-(4-methyl-3-pentenyl)-, ethyl ester, [1R-(1.alpha.,2.alpha.,6.alpha.)]-](/api/spectrum/ICeeai9ke8H/structure.png?h=300&w=458 "Cyclohexanecarboxylic acid, 2-hydroxy-6-methyl-1-(4-methyl-3-pentenyl)-, ethyl ester, [1R-(1.alpha.,2.alpha.,6.alpha.)]-")
