| SpectraBase Spectrum ID |
CpVLzX0ObGE |
| Name |
Oxazol-5(4H)-one, 2-(4-chloro-3-nitrophenyl)-4-(3-nitrobenzylideno)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
373.010162684 u |
| Formula |
C16H8ClN3O6 |
| InChI |
InChI=1S/C16H8ClN3O6/c17-12-5-4-10(8-14(12)20(24)25)15-18-13(16(21)26-15)7-9-2-1-3-11(6-9)19(22)23/h1-8H/b13-7- |
| InChIKey |
RZNWRJZSRPVVRT-QPEQYQDCSA-N |
| Molecular Weight |
373.708 g/mol |
| SMILES |
C1=CC=C(C=C1\C=C\1N=C(OC1=O)C1=CC(N(=O)=O)=C(C=C1)Cl)N(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.946796 |
