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(3S)-1,1-Dibutyl-3-hydroxypyrrolidinium bromide
SpectraBase Compound ID 6Q3OERakgN4
InChI InChI=1S/C12H26NO.BrH/c1-3-5-8-13(9-6-4-2)10-7-12(14)11-13;/h12,14H,3-11H2,1-2H3;1H/q+1;/p-1/t12-;/m0./s1
InChIKey JILPISLYWAIXAX-YDALLXLXSA-M
Mol Weight 280.25 g/mol
Molecular Formula C12H26BrNO
Exact Mass 279.119777 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID InoXlKkI6Yl
Name (3S)-1,1-Dibutyl-3-hydroxypyrrolidinium bromide
Appearance Solid
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Formula C12H26BrNO
InChI InChI=1S/C12H26NO.BrH/c1-3-5-8-13(9-6-4-2)10-7-12(14)11-13;/h12,14H,3-11H2,1-2H3;1H/q+1;/p-1/t12-;/m0./s1
InChIKey JILPISLYWAIXAX-YDALLXLXSA-M
Instrument Name QMD 1000 Carlo Erba
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.p008.210
Molecular Weight 280.250 g/mol
Optical Rotation [a]D22 = +1.9 (c = 0.84, MeOH)
SMILES [Br-].O[C@]1(CC[N+](C1)(CCCC)CCCC)[H]
SPLASH splash10-0zfr-4900000000-c2a9c425f0bb6b03253d
Source of Spectrum ARK-2014-62-22
Wiley ID 1843283