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2-(6-Chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-N-(pyridin-2-yl)acetamide

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

2-(6-Chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-N-(pyridin-2-yl)acetamide
SpectraBase Compound ID FpbEMqqI9Pu
InChI InChI=1S/C15H12ClN3O3/c16-10-4-5-12-11(7-10)19(15(21)9-22-12)8-14(20)18-13-3-1-2-6-17-13/h1-7H,8-9H2,(H,17,18,20)
InChIKey BVCJFQGFCHMBFP-UHFFFAOYSA-N
Mol Weight 317.73 g/mol
Molecular Formula C15H12ClN3O3
Exact Mass 317.056719 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Ac6y1aEukP5
Name 2-(6-Chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-N-(pyridin-2-yl)acetamide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 317.056718955 u
Formula C15H12ClN3O3
InChI InChI=1S/C15H12ClN3O3/c16-10-4-5-12-11(7-10)19(15(21)9-22-12)8-14(20)18-13-3-1-2-6-17-13/h1-7H,8-9H2,(H,17,18,20)
InChIKey BVCJFQGFCHMBFP-UHFFFAOYSA-N
Molecular Weight 317.732 g/mol
SMILES C1=CC=NC(NC(CN2C=3C(=CC=C(C3)Cl)OCC2=O)=O)=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.941574