| SpectraBase Spectrum ID |
LeLNSVj6r8r |
| Name |
1,1',3,3'-Tetramethylbicyclohexyl-2,2'-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
250.193280075 u |
| Formula |
C16H26O2 |
| InChI |
InChI=1S/C16H26O2/c1-11-7-5-9-15(3,13(11)17)16(4)10-6-8-12(2)14(16)18/h11-12H,5-10H2,1-4H3 |
| InChIKey |
JJXJUEQVAGCPIS-UHFFFAOYSA-N |
| Molecular Weight |
250.382 g/mol |
| SMILES |
C1(=O)C(C2(C(=O)C(C)CCC2)C)(CCCC1C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.890322 |
