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2H-Chromene-3-carboxamide, 6-bromo-2-oxo-N-(2-methoxyethyl)-

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

2H-Chromene-3-carboxamide, 6-bromo-2-oxo-N-(2-methoxyethyl)-
SpectraBase Compound ID BPHSak26Ani
InChI InChI=1S/C13H12BrNO4/c1-18-5-4-15-12(16)10-7-8-6-9(14)2-3-11(8)19-13(10)17/h2-3,6-7H,4-5H2,1H3,(H,15,16)
InChIKey KKGRRAYQRJFSDK-UHFFFAOYSA-N
Mol Weight 326.15 g/mol
Molecular Formula C13H12BrNO4
Exact Mass 324.994971 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID LM2lf2f3Xom
Name 2H-Chromene-3-carboxamide, 6-bromo-2-oxo-N-(2-methoxyethyl)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 324.994970866 u
Formula C13H12BrNO4
InChI InChI=1S/C13H12BrNO4/c1-18-5-4-15-12(16)10-7-8-6-9(14)2-3-11(8)19-13(10)17/h2-3,6-7H,4-5H2,1H3,(H,15,16)
InChIKey KKGRRAYQRJFSDK-UHFFFAOYSA-N
Molecular Weight 326.146 g/mol
SMILES COCCNC(C1=CC2=CC(Br)=CC=C2OC1=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.964209