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1,4-Diethylhexyl 6-bromohexanoate

View entire compound with spectra: 1 MS (GC)

1,4-Diethylhexyl 6-bromohexanoate
SpectraBase Compound ID EVGA0AHxabb
InChI InChI=1S/C16H31BrO2/c1-4-14(5-2)11-12-15(6-3)19-16(18)10-8-7-9-13-17/h14-15H,4-13H2,1-3H3
InChIKey SHQNCNSRGKIVLJ-UHFFFAOYSA-N
Mol Weight 335.33 g/mol
Molecular Formula C16H31BrO2
Exact Mass 334.150743 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3ltHJhtB68
Name 1,4-Diethylhexyl 6-bromohexanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H31BrO2
InChI InChI=1S/C16H31BrO2/c1-4-14(5-2)11-12-15(6-3)19-16(18)10-8-7-9-13-17/h14-15H,4-13H2,1-3H3
InChIKey SHQNCNSRGKIVLJ-UHFFFAOYSA-N
Molecular Weight 335.326 g/mol
SMILES C(OC(CCCCCBr)=O)(CC)CCC(CC)CC
SPLASH splash10-004i-9800000000-b83ea462762dcf1e7823
Source of Spectrum NP-11-9519-0
Synonyms 6-Bromohexanoic acid, 5-ethyl-3-octyl ester 6-Bromohexanoic acid 6-ethyloctan-3-yl ester 6-Ethyloctan-3-yl 6-bromohexanoate 6-Ethyloctan-3-yl 6-bromanylhexanoate
Wiley ID 1109991