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(E)-1-(3-Bromophenyl)-4,4-dimethylpent-2-ene

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

(E)-1-(3-Bromophenyl)-4,4-dimethylpent-2-ene
SpectraBase Compound ID Jb8TGVey3rF
InChI InChI=1S/C13H17Br/c1-13(2,3)9-5-7-11-6-4-8-12(14)10-11/h4-6,8-10H,7H2,1-3H3/b9-5+
InChIKey CHSZOEQNKLHVTR-WEVVVXLNSA-N
Mol Weight 253.18 g/mol
Molecular Formula C13H17Br
Exact Mass 252.051364 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID FzyyQnN94jt
Name (E)-1-(3-Bromophenyl)-4,4-dimethylpent-2-ene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 252.051363547 u
Formula C13H17Br
InChI InChI=1S/C13H17Br/c1-13(2,3)9-5-7-11-6-4-8-12(14)10-11/h4-6,8-10H,7H2,1-3H3/b9-5+
InChIKey CHSZOEQNKLHVTR-WEVVVXLNSA-N
Molecular Weight 253.183 g/mol
SMILES C(\C=C\C(C)(C)C)C=1C=C(C=CC1)Br
Spectrum/Structure Validation Score (Vapor Phase IR) 0.924792