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6-Bromohexanoic acid, 2-ethylhexyl ester

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6-Bromohexanoic acid, 2-ethylhexyl ester
SpectraBase Compound ID DBqttUMDkdE
InChI InChI=1S/C14H27BrO2/c1-3-5-9-13(4-2)12-17-14(16)10-7-6-8-11-15/h13H,3-12H2,1-2H3
InChIKey VYVCYGRGPAWSKP-UHFFFAOYSA-N
Mol Weight 307.27 g/mol
Molecular Formula C14H27BrO2
Exact Mass 306.119443 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID KTsE4vnOvwt
Name 6-Bromohexanoic acid, 2-ethylhexyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 306.119443107 u
Formula C14H27BrO2
InChI InChI=1S/C14H27BrO2/c1-3-5-9-13(4-2)12-17-14(16)10-7-6-8-11-15/h13H,3-12H2,1-2H3
InChIKey VYVCYGRGPAWSKP-UHFFFAOYSA-N
Molecular Weight 307.272 g/mol
SMILES C(COC(CCCCCBr)=O)(CCCC)CC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.935078