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Adipic acid bis(6-bromohexyl) ester

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

Adipic acid bis(6-bromohexyl) ester
SpectraBase Compound ID INJgZDSYjvz
InChI InChI=1S/C18H32Br2O4/c19-13-7-1-3-9-15-23-17(21)11-5-6-12-18(22)24-16-10-4-2-8-14-20/h1-16H2
InChIKey CNAPTNJUZWAAOM-UHFFFAOYSA-N
Mol Weight 472.3 g/mol
Molecular Formula C18H32Br2O4
Exact Mass 470.066736 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID KNcDPwjBLE5
Name Adipic acid bis(6-bromohexyl) ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 470.066735506 u
Formula C18H32Br2O4
InChI InChI=1S/C18H32Br2O4/c19-13-7-1-3-9-15-23-17(21)11-5-6-12-18(22)24-16-10-4-2-8-14-20/h1-16H2
InChIKey CNAPTNJUZWAAOM-UHFFFAOYSA-N
Molecular Weight 472.258 g/mol
SMILES C(=O)(OCCCCCCBr)CCCCC(=O)OCCCCCCBr
Spectrum/Structure Validation Score (Vapor Phase IR) 0.812347