| SpectraBase Spectrum ID |
JlP96urAE5R |
| Name |
(Z)-5-Methyl-2-{[4-(N-methylamino)-2-oxo-pent-3-en-3-yl]-methyl}-cyclohexa-2,5-dien-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/c1-8-5-14(18)11(7-13(8)17)6-12(10(3)16)9(2)15-4/h5,7,15H,6H2,1-4H3/b12-9- |
| InChIKey |
VUPMBQTUQAHISQ-XFXZXTDPSA-N |
| Molecular Weight |
247.294 g/mol |
| SMILES |
C1(=O)C(C\C(=C/(C)NC)C(C)=O)=CC(=O)C(C)=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.921233 |
![(Z)-5-Methyl-2-{[4-(N-methylamino)-2-oxo-pent-3-en-3-yl]-methyl}-cyclohexa-2,5-dien-1,4-dione](/api/spectrum/JlP96urAE5R/structure.png?h=300&w=458 "(Z)-5-Methyl-2-{[4-(N-methylamino)-2-oxo-pent-3-en-3-yl]-methyl}-cyclohexa-2,5-dien-1,4-dione")
