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2,2-Dibromo-3-hydroxy-5-phenyl-4-pentenenitrile

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2,2-Dibromo-3-hydroxy-5-phenyl-4-pentenenitrile
SpectraBase Compound ID Cb33735OC7H
InChI InChI=1S/C11H9Br2NO/c12-11(13,8-14)10(15)7-6-9-4-2-1-3-5-9/h1-7,10,15H/b7-6+
InChIKey SJRWJLZVUUSQKN-VOTSOKGWSA-N
Mol Weight 331.01 g/mol
Molecular Formula C11H9Br2NO
Exact Mass 328.90509 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 26Fw9OmibZk
Name 2,2-Dibromo-3-hydroxy-5-phenyl-4-pentenenitrile
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 328.905089913 u
Formula C11H9Br2NO
InChI InChI=1S/C11H9Br2NO/c12-11(13,8-14)10(15)7-6-9-4-2-1-3-5-9/h1-7,10,15H/b7-6+
InChIKey SJRWJLZVUUSQKN-VOTSOKGWSA-N
Molecular Weight 331.007 g/mol
SMILES C(C(C(\C=C\C=1C=CC=CC1)O)(Br)Br)#N
Spectrum/Structure Validation Score (Vapor Phase IR) 0.874838