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1-Bromo-2-(3,5-di-T-butylphenyl)-2-methylpropane

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

1-Bromo-2-(3,5-di-T-butylphenyl)-2-methylpropane
SpectraBase Compound ID HahGiQSMZq
InChI InChI=1S/C18H29Br/c1-16(2,3)13-9-14(17(4,5)6)11-15(10-13)18(7,8)12-19/h9-11H,12H2,1-8H3
InChIKey SSNTZAPRPMANTF-UHFFFAOYSA-N
Mol Weight 325.33 g/mol
Molecular Formula C18H29Br
Exact Mass 324.145264 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 2gkaimJYARf
Name 1-Bromo-2-(3,5-di-T-butylphenyl)-2-methylpropane
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 324.145263934 u
Formula C18H29Br
InChI InChI=1S/C18H29Br/c1-16(2,3)13-9-14(17(4,5)6)11-15(10-13)18(7,8)12-19/h9-11H,12H2,1-8H3
InChIKey SSNTZAPRPMANTF-UHFFFAOYSA-N
Molecular Weight 325.334 g/mol
SMILES C=1(C=C(C(C)(C)C)C=C(C1)C(CBr)(C)C)C(C)(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.963629