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3-Bromo-alpha-cyano-2',4'-difluoro-4-hydroxy-5-methoxycinnamanilide

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 Raman

3-Bromo-alpha-cyano-2',4'-difluoro-4-hydroxy-5-methoxycinnamanilide
SpectraBase Compound ID EJcWt59ppF4
InChI InChI=1S/C17H11BrF2N2O3/c1-25-15-6-9(5-12(18)16(15)23)4-10(8-21)17(24)22-14-3-2-11(19)7-13(14)20/h2-7,23H,1H3,(H,22,24)
InChIKey XLFZSBNMTATTCW-UHFFFAOYSA-N
Mol Weight 409.19 g/mol
Molecular Formula C17H11BrF2N2O3
Exact Mass 407.992112 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 5BMPOhygTKm
Name 3-Bromo-alpha-cyano-2',4'-difluoro-4-hydroxy-5-methoxycinnamanilide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 407.992111545 u
Formula C17H11BrF2N2O3
InChI InChI=1S/C17H11BrF2N2O3/c1-25-15-6-9(5-12(18)16(15)23)4-10(8-21)17(24)22-14-3-2-11(19)7-13(14)20/h2-7,23H,1H3,(H,22,24)
InChIKey XLFZSBNMTATTCW-UHFFFAOYSA-N
Molecular Weight 409.187 g/mol
SMILES OC1=C(C=C(C=C(C(NC=2C=CC(=CC2F)F)=O)C#N)C=C1OC)Br
Spectrum/Structure Validation Score (Raman) 0.800465