| SpectraBase Spectrum ID |
BvxwCTQ10NR |
| Name |
2-Butenoic acid, 2-methyl-4-(2,2,4-trimethyl-3-oxocyclohexyl)-, ethyl ester, [1R-[1R*(E)]]- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
266.188194694 u |
| Formula |
C16H26O3 |
| InChI |
InChI=1S/C16H26O3/c1-6-19-15(18)12(3)8-10-13-9-7-11(2)14(17)16(13,4)5/h8,11,13H,6-7,9-10H2,1-5H3/b12-8+/t11?,13-/m1/s1 |
| InChIKey |
XQGIXIRDICYJLI-XZTNNRAYSA-N |
| Molecular Weight |
266.381 g/mol |
| SMILES |
C1(C(=O)C(C)CC[C@@]1(C\C=C\(C(=O)OCC)C)[H])(C)C |
![2-Butenoic acid, 2-methyl-4-(2,2,4-trimethyl-3-oxocyclohexyl)-, ethyl ester, [1R-[1R*(E)]]-](/api/spectrum/BvxwCTQ10NR/structure.png?h=300&w=458 "2-Butenoic acid, 2-methyl-4-(2,2,4-trimethyl-3-oxocyclohexyl)-, ethyl ester, [1R-[1R*(E)]]-")
