| SpectraBase Spectrum ID |
6R6gKQbMaBv |
| Name |
2,4-Pentadienoic acid, 3-methyl-5-[4-(1-methylethenyl)-1-cyclohexen-1-yl]-, methyl ester, [S-(E,E)]- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
246.161979946 u |
| Formula |
C16H22O2 |
| InChI |
InChI=1S/C16H22O2/c1-12(2)15-9-7-14(8-10-15)6-5-13(3)11-16(17)18-4/h5-7,11,15H,1,8-10H2,2-4H3/b6-5+,13-11+/t15-/m1/s1 |
| InChIKey |
UBXPAXWHSGHMQM-LORRMVPQSA-N |
| Molecular Weight |
246.350 g/mol |
| SMILES |
C(\C=C\(\C=C\C1=CC[C@@](C(=C)C)(CC1)[H])C)(=O)OC |
![2,4-Pentadienoic acid, 3-methyl-5-[4-(1-methylethenyl)-1-cyclohexen-1-yl]-, methyl ester, [S-(E,E)]-](/api/spectrum/6R6gKQbMaBv/structure.png?h=300&w=458 "2,4-Pentadienoic acid, 3-methyl-5-[4-(1-methylethenyl)-1-cyclohexen-1-yl]-, methyl ester, [S-(E,E)]-")
