| SpectraBase Spectrum ID |
HlcrAKvZxWI |
| Name |
3-(2-Nitrophenyl)-3-oxidanylidene-2-phenyl-propanal |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
269.068807834 u |
| Formula |
C15H11NO4 |
| InChI |
InChI=1S/C15H11NO4/c17-10-13(11-6-2-1-3-7-11)15(18)12-8-4-5-9-14(12)16(19)20/h1-10,13H |
| InChIKey |
GWOMOBURXKPPDQ-UHFFFAOYSA-N |
| SMILES |
C(=O)(C(C=O)C1=CC=CC=C1)C1=C(N(=O)=O)C=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.928403 |
