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(E)-3-(2-(2,2-dibromovinyl)phenyl)acrylonitrile

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(E)-3-(2-(2,2-dibromovinyl)phenyl)acrylonitrile
SpectraBase Compound ID DpdKt7CSblI
InChI InChI=1S/C11H7Br2N/c12-11(13)8-10-5-2-1-4-9(10)6-3-7-14/h1-6,8H/b6-3+
InChIKey JUTWUMCTXTWZKI-ZZXKWVIFSA-N
Mol Weight 312.99 g/mol
Molecular Formula C11H7Br2N
Exact Mass 310.894525 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID GQDdRnabFFh
Name (E)-3-(2-(2,2-Dibromovinyl)phenyl)acrylonitrile
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 310.894525229 u
Formula C11H7Br2N
InChI InChI=1S/C11H7Br2N/c12-11(13)8-10-5-2-1-4-9(10)6-3-7-14/h1-6,8H/b6-3+
InChIKey JUTWUMCTXTWZKI-ZZXKWVIFSA-N
Molecular Weight 312.992 g/mol
SMILES C=1C=C(C=C(Br)Br)C(=CC1)\C=C\C#N
Spectrum/Structure Validation Score (Vapor Phase IR) 0.91223