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1-Bromo-3-tert-butyl-2-methoxy-5-methylbenzene

View entire compound with spectra: 1 FTIR

1-Bromo-3-tert-butyl-2-methoxy-5-methylbenzene
SpectraBase Compound ID 6Vfzf8sYQPA
InChI InChI=1S/C12H17BrO/c1-8-6-9(12(2,3)4)11(14-5)10(13)7-8/h6-7H,1-5H3
InChIKey MLHDMUNFEWJXRL-UHFFFAOYSA-N
Mol Weight 257.17 g/mol
Molecular Formula C12H17BrO
Exact Mass 256.046278 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID F6vmuwNphdB
Name 1-Bromo-3-tert-butyl-2-methoxy-5-methylbenzene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 256.046278166 u
Formula C12H17BrO
InChI InChI=1S/C12H17BrO/c1-8-6-9(12(2,3)4)11(14-5)10(13)7-8/h6-7H,1-5H3
InChIKey MLHDMUNFEWJXRL-UHFFFAOYSA-N
Molecular Weight 257.171 g/mol
SMILES C1(=CC(=C(C(=C1)C(C)(C)C)OC)Br)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.945862