| SpectraBase Spectrum ID |
Dlv8fGg3vD0 |
| Name |
2-(3-Nitrophenyl)-1,4-dihydro-2H-3,1-benzoxazine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
256.084792251 u |
| Formula |
C14H12N2O3 |
| InChI |
InChI=1S/C14H12N2O3/c17-16(18)12-6-3-5-10(8-12)14-15-13-7-2-1-4-11(13)9-19-14/h1-8,14-15H,9H2 |
| InChIKey |
BMTYRHXRPZSTJQ-UHFFFAOYSA-N |
| Molecular Weight |
256.261 g/mol |
| SMILES |
C1(N(=O)=O)=CC(C2NC3=CC=CC=C3CO2)=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.954826 |
