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1-Bromo-8-methylhexacosane

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

1-Bromo-8-methylhexacosane
SpectraBase Compound ID DhYazpU8nwi
InChI InChI=1S/C27H55Br/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-24-27(2)25-22-19-17-20-23-26-28/h27H,3-26H2,1-2H3
InChIKey ZYOYIBKUEJVWQQ-UHFFFAOYSA-N
Mol Weight 459.6 g/mol
Molecular Formula C27H55Br
Exact Mass 458.348715 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 70CE0AM7etL
Name 1-Bromo-8-methylhexacosane
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 458.348714771 u
Formula C27H55Br
InChI InChI=1S/C27H55Br/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-24-27(2)25-22-19-17-20-23-26-28/h27H,3-26H2,1-2H3
InChIKey ZYOYIBKUEJVWQQ-UHFFFAOYSA-N
Molecular Weight 459.641 g/mol
SMILES C(Br)CCCCCCC(CCCCCCCCCCCCCCCCCC)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.925997