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4-Bromo-3,5-di-t-butylbenzonitrile

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

4-Bromo-3,5-di-t-butylbenzonitrile
SpectraBase Compound ID 146JtTSxAAQ
InChI InChI=1S/C15H20BrN/c1-14(2,3)11-7-10(9-17)8-12(13(11)16)15(4,5)6/h7-8H,1-6H3
InChIKey LODIHJMHEVYZGH-UHFFFAOYSA-N
Mol Weight 294.24 g/mol
Molecular Formula C15H20BrN
Exact Mass 293.077913 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5Ke4hG2O4Mq
Name 4-Bromo-3,5-di-T-butylbenzonitrile
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 293.077912648 u
Formula C15H20BrN
InChI InChI=1S/C15H20BrN/c1-14(2,3)11-7-10(9-17)8-12(13(11)16)15(4,5)6/h7-8H,1-6H3
InChIKey LODIHJMHEVYZGH-UHFFFAOYSA-N
Molecular Weight 294.236 g/mol
SMILES C=1(C(C(C)(C)C)=CC(C#N)=CC1C(C)(C)C)Br
Spectrum/Structure Validation Score (Vapor Phase IR) 0.953064