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1-[4',4'-Dibromobut-3'-en-1'-ynyl]-3,5-bis(t-butyl)benzene

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

1-[4',4'-Dibromobut-3'-en-1'-ynyl]-3,5-bis(t-butyl)benzene
SpectraBase Compound ID GZjbIZi24FU
InChI InChI=1S/C18H22Br2/c1-17(2,3)14-10-13(8-7-9-16(19)20)11-15(12-14)18(4,5)6/h9-12H,1-6H3
InChIKey IGAWOQBQVOOODI-UHFFFAOYSA-N
Mol Weight 398.18 g/mol
Molecular Formula C18H22Br2
Exact Mass 396.008827 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID EFQnfHtOnD9
Name 1-[4',4'-Dibromobut-3'-en-1'-ynyl]-3,5-bis(T-butyl)benzene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 396.008826708 u
Formula C18H22Br2
InChI InChI=1S/C18H22Br2/c1-17(2,3)14-10-13(8-7-9-16(19)20)11-15(12-14)18(4,5)6/h9-12H,1-6H3
InChIKey IGAWOQBQVOOODI-UHFFFAOYSA-N
Molecular Weight 398.182 g/mol
SMILES C(#CC1=CC(C(C)(C)C)=CC(=C1)C(C)(C)C)C=C(Br)Br
Spectrum/Structure Validation Score (Vapor Phase IR) 0.92213