| SpectraBase Spectrum ID |
2jeANuQIBXv |
| Name |
2-Cyclohexen-1-one, 6-(acetyloxy)-2,4,4-trimethyl-3-(3-oxo-1-butenyl)-, [S-(E)]- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
264.136159120 u |
| Formula |
C15H20O4 |
| InChI |
InChI=1S/C15H20O4/c1-9(16)6-7-12-10(2)14(18)13(19-11(3)17)8-15(12,4)5/h6-7,13H,8H2,1-5H3/b7-6+/t13-/m0/s1 |
| InChIKey |
BATPQHLSSCDHFO-YBJDMEARSA-N |
| Molecular Weight |
264.321 g/mol |
| SMILES |
C1(=C(C(=O)[C@](CC1(C)C)(OC(=O)C)[H])C)\C=C\C(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.878441 |
![2-Cyclohexen-1-one, 6-(acetyloxy)-2,4,4-trimethyl-3-(3-oxo-1-butenyl)-, [S-(E)]-](/api/spectrum/2jeANuQIBXv/structure.png?h=300&w=458 "2-Cyclohexen-1-one, 6-(acetyloxy)-2,4,4-trimethyl-3-(3-oxo-1-butenyl)-, [S-(E)]-")
