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Undecyl 5-bromopentanoate

View entire compound with spectra: 2 MS (GC)

Undecyl 5-bromopentanoate
SpectraBase Compound ID 7MeB7J8aBy
InChI InChI=1S/C16H31BrO2/c1-2-3-4-5-6-7-8-9-12-15-19-16(18)13-10-11-14-17/h2-15H2,1H3
InChIKey MWDGQCNABWWJEF-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 5PKortaKcWx
Name Undecyl 5-bromopentanoate
Alternate Name(s) 5-Bromopentanoic acid undecyl ester 5-Bromovaleric acid undecyl ester undecyl 5-bromanylpentanoate Undecyl 5-bromovalerate
CAS Registry Number 300381-07-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H31BrO2
InChI InChI=1S/C16H31BrO2/c1-2-3-4-5-6-7-8-9-12-15-19-16(18)13-10-11-14-17/h2-15H2,1H3
InChIKey MWDGQCNABWWJEF-UHFFFAOYSA-N
Molecular Weight 335.326 g/mol
SMILES CCCCCCCCCCCOC(=O)CCCCBr
SPLASH splash10-0a4l-9200000000-08a4ee658546bafa4f2b
Wiley ID 1470008