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(2-Bromo-3,3-dimethyl-1-methylene-butyl)benzene

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(2-Bromo-3,3-dimethyl-1-methylene-butyl)benzene
SpectraBase Compound ID J5zYDp63HoS
InChI InChI=1S/C13H17Br/c1-10(12(14)13(2,3)4)11-8-6-5-7-9-11/h5-9,12H,1H2,2-4H3
InChIKey BCPPILXTWXKIDI-UHFFFAOYSA-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 7oziDaL7IDk
Name (2-Bromo-3,3-dimethyl-1-methylene-butyl)benzene
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/c1-10(12(14)13(2,3)4)11-8-6-5-7-9-11/h5-9,12H,1H2,2-4H3
InChIKey BCPPILXTWXKIDI-UHFFFAOYSA-N
Molecular Weight 253.183 g/mol
SMILES C(C(C(C)(C)C)Br)(C1=CC=CC=C1)=C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.892435