| SpectraBase Spectrum ID |
7Q632j35RAE |
| Name |
1,3-Cyclohexanedione, 5,5-dimethyl-2-(4-morpholinylmethylene)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
237.136493473 u |
| Formula |
C13H19NO3 |
| InChI |
InChI=1S/C13H19NO3/c1-13(2)7-11(15)10(12(16)8-13)9-14-3-5-17-6-4-14/h9H,3-8H2,1-2H3 |
| InChIKey |
ZGXWHZBODGYEKE-UHFFFAOYSA-N |
| Molecular Weight |
237.299 g/mol |
| SMILES |
C1(C(C(CC(C1)(C)C)=O)=CN1CCOCC1)=O |
| Spectrum/Structure Validation Score (Raman) |
0.937957 |
