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2-Bromanyl-1,3-bis(12-bromanyldodecoxy)benzene

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

2-Bromanyl-1,3-bis(12-bromanyldodecoxy)benzene
SpectraBase Compound ID GhFgMf3b5r4
InChI InChI=1S/C30H51Br3O2/c31-24-17-13-9-5-1-3-7-11-15-19-26-34-28-22-21-23-29(30(28)33)35-27-20-16-12-8-4-2-6-10-14-18-25-32/h21-23H,1-20,24-27H2
InChIKey DJAIVXXMATYDCL-UHFFFAOYSA-N
Mol Weight 683.4 g/mol
Molecular Formula C30H51Br3O2
Exact Mass 680.14392 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 2vgiMNCFh4y
Name 2-Bromanyl-1,3-bis(12-bromanyldodecoxy)benzene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 680.143919880 u
Formula C30H51Br3O2
InChI InChI=1S/C30H51Br3O2/c31-24-17-13-9-5-1-3-7-11-15-19-26-34-28-22-21-23-29(30(28)33)35-27-20-16-12-8-4-2-6-10-14-18-25-32/h21-23H,1-20,24-27H2
InChIKey DJAIVXXMATYDCL-UHFFFAOYSA-N
SMILES C=1(C(OCCCCCCCCCCCCBr)=CC=CC1OCCCCCCCCCCCCBr)Br
Spectrum/Structure Validation Score (Vapor Phase IR) 0.910641