| SpectraBase Spectrum ID |
6sDYao852v1 |
| Name |
4-Methyl-1,5-diphenyl-2-pyrroline-2,3-quinone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
263.094628661 u |
| Formula |
C17H13NO2 |
| InChI |
InChI=1S/C17H13NO2/c1-12-15(13-8-4-2-5-9-13)18(17(20)16(12)19)14-10-6-3-7-11-14/h2-11H,1H3 |
| InChIKey |
JNWURRGBROLASV-UHFFFAOYSA-N |
| Molecular Weight |
263.296 g/mol |
| SMILES |
C=1(N(C(C(C1C)=O)=O)C1=CC=CC=C1)C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.878797 |
