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2-Bromanyl-5-tert-butyl-1,3-bis(2-methoxypropan-2-yl)benzene

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

2-Bromanyl-5-tert-butyl-1,3-bis(2-methoxypropan-2-yl)benzene
SpectraBase Compound ID HhYCLJWDvG0
InChI InChI=1S/C18H29BrO2/c1-16(2,3)12-10-13(17(4,5)20-8)15(19)14(11-12)18(6,7)21-9/h10-11H,1-9H3
InChIKey OMDPJHAUNGDBIS-UHFFFAOYSA-N
Mol Weight 357.33 g/mol
Molecular Formula C18H29BrO2
Exact Mass 356.135093 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID BSNle2adRex
Name 2-Bromanyl-5-tert-butyl-1,3-bis(2-methoxypropan-2-yl)benzene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 356.135093172 u
Formula C18H29BrO2
InChI InChI=1S/C18H29BrO2/c1-16(2,3)12-10-13(17(4,5)20-8)15(19)14(11-12)18(6,7)21-9/h10-11H,1-9H3
InChIKey OMDPJHAUNGDBIS-UHFFFAOYSA-N
Molecular Weight 357.332 g/mol
SMILES C=1(C(=C(C(OC)(C)C)C=C(C1)C(C)(C)C)Br)C(OC)(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.982933