| SpectraBase Spectrum ID |
9bDyGnOPao5 |
| Name |
2-Butanone, 4-[2,6,6-trimethyl-3-(1-methylethoxy)-1-cyclohexen-1-yl]-, (.+-.)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
252.208930140 u |
| Formula |
C16H28O2 |
| InChI |
InChI=1S/C16H28O2/c1-11(2)18-15-9-10-16(5,6)14(13(15)4)8-7-12(3)17/h11,15H,7-10H2,1-6H3 |
| InChIKey |
BWUCXRXIAHWSDH-UHFFFAOYSA-N |
| Molecular Weight |
252.398 g/mol |
| SMILES |
C1(=C(C(OC(C)C)CCC1(C)C)C)CCC(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.947661 |
![2-Butanone, 4-[2,6,6-trimethyl-3-(1-methylethoxy)-1-cyclohexen-1-yl]-, (.+-.)-](/api/spectrum/9bDyGnOPao5/structure.png?h=300&w=458 "2-Butanone, 4-[2,6,6-trimethyl-3-(1-methylethoxy)-1-cyclohexen-1-yl]-, (.+-.)-")
