SpectraBase Spectrum ID |
L74X4n0Y43u |
Name |
2,2-Dimethyl-6-nitro-4-phenyl-1,2-dihydro-quinazoline 3-oxide |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
297.111341352 u |
Formula |
C16H15N3O3 |
InChI |
InChI=1S/C16H15N3O3/c1-16(2)17-14-9-8-12(19(21)22)10-13(14)15(18(16)20)11-6-4-3-5-7-11/h3-10,17H,1-2H3 |
InChIKey |
NULULAJOGTUYSD-UHFFFAOYSA-N |
SMILES |
C1(=N(C(NC2=CC=C(C=C12)N(=O)=O)(C)C)=O)C1=CC=CC=C1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.886316 |