SpectraBase Spectrum ID |
HCINOWi1Vcv |
Name |
4-[p-Bromophenyl]-2H-1,3[3H]oxazine-2,6-dione |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
266.953106054 u |
Formula |
C10H6BrNO3 |
InChI |
InChI=1S/C10H6BrNO3/c11-7-3-1-6(2-4-7)8-5-9(13)15-10(14)12-8/h1-5H,(H,12,14) |
InChIKey |
XKBTZYZRHSBEIS-UHFFFAOYSA-N |
Molecular Weight |
268.066 g/mol |
SMILES |
C1=C(C=CC(=C1)Br)C=1NC(OC(C1)=O)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.936292 |