| SpectraBase Spectrum ID |
xbAeeOpHbn |
| Name |
2,5-Cyclohexadiene-1,4-dione, 2,3-diethyl-5,6-dimethyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
192.115029753 u |
| Formula |
C12H16O2 |
| InChI |
InChI=1S/C12H16O2/c1-5-9-10(6-2)12(14)8(4)7(3)11(9)13/h5-6H2,1-4H3 |
| InChIKey |
BPNCBCPAZYLGFJ-UHFFFAOYSA-N |
| Molecular Weight |
192.258 g/mol |
| SMILES |
C1(=C(C(=O)C(=C(C1=O)CC)CC)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.976298 |
