| SpectraBase Spectrum ID |
HqvM4WPDBFD |
| Name |
(E)-11-(4-Methylbenzylidene)-5-methyl-5,6,11,12-tetrahydrodibenz[B,F]azocin-6,12-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
353.141578854 u |
| Formula |
C24H19NO2 |
| InChI |
InChI=1S/C24H19NO2/c1-16-11-13-17(14-12-16)15-21-18-7-3-4-8-19(18)24(27)25(2)22-10-6-5-9-20(22)23(21)26/h3-15H,1-2H3/b21-15+ |
| InChIKey |
PNGOWGGNIOQIPN-RCCKNPSSSA-N |
| Molecular Weight |
353.421 g/mol |
| SMILES |
C1(\C(C=2C(C(N(C=3C1=CC=CC3)C)=O)=CC=CC2)=C\C=1C=CC(=CC1)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.885784 |
![(E)-11-(4-Methylbenzylidene)-5-methyl-5,6,11,12-tetrahydrodibenz[b,f]azocin-6,12-dione](/api/spectrum/HqvM4WPDBFD/structure.png?h=300&w=458 "(E)-11-(4-Methylbenzylidene)-5-methyl-5,6,11,12-tetrahydrodibenz[b,f]azocin-6,12-dione")
