| SpectraBase Spectrum ID |
LPIm1b8zdaM |
| Name |
Benzene, 1,4-bis(3-formylcyclohexan-2-one-1-yl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
326.151809184 u |
| Formula |
C20H22O4 |
| InChI |
InChI=1S/C20H22O4/c21-11-15-3-1-5-17(19(15)23)13-7-9-14(10-8-13)18-6-2-4-16(12-22)20(18)24/h7-12,15-18H,1-6H2 |
| InChIKey |
UGEDCFBITKKFRV-UHFFFAOYSA-N |
| Molecular Weight |
326.392 g/mol |
| SMILES |
C1CC(C=O)C(C(C1)C1=CC=C(C=C1)C1C(=O)C(C=O)CCC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.819637 |
