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2-(4-Bromobenzoyl)-3-ethoxyacrylonitrile

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

2-(4-Bromobenzoyl)-3-ethoxyacrylonitrile
SpectraBase Compound ID EoKVXYCuVDF
InChI InChI=1S/C12H10BrNO2/c1-2-16-8-10(7-14)12(15)9-3-5-11(13)6-4-9/h3-6,8H,2H2,1H3/b10-8+
InChIKey DQRJILMLEDRUQB-CSKARUKUSA-N
Mol Weight 280.12 g/mol
Molecular Formula C12H10BrNO2
Exact Mass 278.989492 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9rB1akOX1ex
Name 2-(4-Bromobenzoyl)-3-ethoxyacrylonitrile
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 278.989491564 u
Formula C12H10BrNO2
InChI InChI=1S/C12H10BrNO2/c1-2-16-8-10(7-14)12(15)9-3-5-11(13)6-4-9/h3-6,8H,2H2,1H3/b10-8+
InChIKey DQRJILMLEDRUQB-CSKARUKUSA-N
Molecular Weight 280.121 g/mol
SMILES C(\C(C#N)=C\OCC)(C1=CC=C(C=C1)Br)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.887858