| SpectraBase Spectrum ID |
CoaA0TUPtIu |
| Name |
5-Methyl-2-[5'-(N-methylamino)-2'-oxo-4'-hexenyl]-2,5-cyclohexadiene-1,4-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
247.120843408 u |
| Formula |
C14H17NO3 |
| InChI |
InChI=1S/C14H17NO3/c1-9-6-14(18)11(8-13(9)17)7-12(16)5-4-10(2)15-3/h4,6,8,15H,5,7H2,1-3H3/b10-4+ |
| InChIKey |
PRMJCERZIDQCFZ-ONNFQVAWSA-N |
| Molecular Weight |
247.294 g/mol |
| SMILES |
C1(=CC(=O)C(=CC1=O)C)CC(=O)C\C=C/(NC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.858088 |
![5-Methyl-2-[5'-(N-methylamino)-2'-oxo-4'-hexenyl]-2,5-cyclohexadiene-1,4-dione](/api/spectrum/CoaA0TUPtIu/structure.png?h=300&w=458 "5-Methyl-2-[5'-(N-methylamino)-2'-oxo-4'-hexenyl]-2,5-cyclohexadiene-1,4-dione")
