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2-Bromohexadecanoic acid

View entire compound with spectra: 5 NMR, 5 FTIR, 2 Raman, and 2 MS (GC)

2-Bromohexadecanoic acid
SpectraBase Compound ID 1Sf1J8HN6up
InChI InChI=1S/C16H31BrO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(17)16(18)19/h15H,2-14H2,1H3,(H,18,19)
InChIKey DPRAYRYQQAXQPE-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 6liTMYof9on
Name Hexadecanoic acid, 2-bromo-
Alternate Name(s) .alpha.-Bromopalmitic acid 2-Bromanylhexadecanoic acid 2-Bromohexadecanoic acid 2-Bromopalmitate 2-Bromopalmitic acid EINECS 242-137-0 NSC 58378
CAS Registry Number 18263-25-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H31BrO2
InChI InChI=1S/C16H31BrO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(17)16(18)19/h15H,2-14H2,1H3,(H,18,19)
InChIKey DPRAYRYQQAXQPE-UHFFFAOYSA-N
Molecular Weight 335.326 g/mol
SMILES OC(C(CCCCCCCCCCCCCC)Br)=O
SPLASH splash10-0abc-9820000000-4e68e93698e7cf86e879
Source of Spectrum W5-0-0-0
Wiley ID 1330764