| SpectraBase Spectrum ID |
1Y2gpFXbuPc |
| Name |
3-Cyclohexene-1-acetaldehyde, 4,6,6-trimethyl-5-(3-oxo-1-butenyl)-, [1R-[1.alpha.,5.alpha.(E)]]- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
234.161979946 u |
| Formula |
C15H22O2 |
| InChI |
InChI=1S/C15H22O2/c1-11-5-7-13(9-10-16)15(3,4)14(11)8-6-12(2)17/h5-6,8,10,13-14H,7,9H2,1-4H3/b8-6+/t13-,14-/m1/s1 |
| InChIKey |
RGVUVUAHMMWZAB-RTIZMKJZSA-N |
| Molecular Weight |
234.339 g/mol |
| SMILES |
[C@]1(C([C@@](CC=O)(CC=C1C)[H])(C)C)(\C=C\C(=O)C)[H] |
![3-Cyclohexene-1-acetaldehyde, 4,6,6-trimethyl-5-(3-oxo-1-butenyl)-, [1R-[1.alpha.,5.alpha.(E)]]-](/api/spectrum/1Y2gpFXbuPc/structure.png?h=300&w=458 "3-Cyclohexene-1-acetaldehyde, 4,6,6-trimethyl-5-(3-oxo-1-butenyl)-, [1R-[1.alpha.,5.alpha.(E)]]-")
