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1-(Bromomethyl)-3,5-bis(tridecyloxy)benzene

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

1-(Bromomethyl)-3,5-bis(tridecyloxy)benzene
SpectraBase Compound ID F8FJAI4of06
InChI InChI=1S/C33H59BrO2/c1-3-5-7-9-11-13-15-17-19-21-23-25-35-32-27-31(30-34)28-33(29-32)36-26-24-22-20-18-16-14-12-10-8-6-4-2/h27-29H,3-26,30H2,1-2H3
InChIKey REDNGSWVMCYZLG-UHFFFAOYSA-N
Mol Weight 567.7 g/mol
Molecular Formula C33H59BrO2
Exact Mass 566.369844 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 1AzZTpu2S7X
Name 1-(Bromomethyl)-3,5-bis(tridecyloxy)benzene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 566.369844138 u
Formula C33H59BrO2
InChI InChI=1S/C33H59BrO2/c1-3-5-7-9-11-13-15-17-19-21-23-25-35-32-27-31(30-34)28-33(29-32)36-26-24-22-20-18-16-14-12-10-8-6-4-2/h27-29H,3-26,30H2,1-2H3
InChIKey REDNGSWVMCYZLG-UHFFFAOYSA-N
Molecular Weight 567.737 g/mol
SMILES C=1C(=CC(OCCCCCCCCCCCCC)=CC1OCCCCCCCCCCCCC)CBr
Spectrum/Structure Validation Score (Vapor Phase IR) 0.910362