QUINUCLIDINE HYDROCHLORIDE(39896-06-5) MS
Product NameQUINUCLIDINE HYDROCHLORIDE
CAS39896-06-5
Molecular FormulaC7H14ClN
Molecular Weight147.65
InChIInChI=1S/C7H13N.ClH/c1-4-8-5-2-7(1)3-6-8;/h7H,1-6H2;1H
InChIKey BZLBBZLOMXKMTA-UHFFFAOYSA-N
SmilesC12CCN(CC1)CC2.Cl
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MassMS-NW-3182 quinuclidine hydrochloride C7H13N HCl (Mass of molecular ion: 111)
Source Temperature: 220 °C Sample Temperature: 140 °C Direct, 75 eV
15.0 3.0 18.0 1.2 26.0 1.0 27.0 8.3 28.0 5.8 29.0 4.8 30.0 2.0 35.0 3.1 36.0 27.3 37.0 1.0 38.0 9.0 39.0 6.3 40.0 1.1 41.0 10.8 42.0 100.0 43.0 5.2 44.0 1.1 51.0 1.1 53.0 3.7 54.0 5.6 55.0 20.0 56.0 6.2 57.0 9.6 67.0 1.9 68.0 5.7 69.0 14.3 70.0 2.9 81.0 2.5 82.0 37.5 83.0 16.2 84.0 1.6 96.0 23.3 97.0 1.7 110.0 20.9 111.0 44.7 112.0 3.6
400 MHz in D2O
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1H NMR 399.65 MHz C7 H13 N 0.043 g : 0.5 ml D2O quinuclidine hydrochloride 
Assign. Shift(ppm)
B 3.320 C 2.156 D 1.940 The solvent signal removed.
Hz ppm Int.1335.33 3.342 956 1329.35 3.327 690 1327.15 3.321 936 1324.71 3.315 615 1318.97 3.301 1000 868.53 2.174 137 865.23 2.165 342 861.94 2.157 474 858.64 2.149 386 855.35 2.141 176 784.91 1.964 569 781.49 1.956 610 779.66 1.951 469 776.49 1.943 764 773.93 1.937 716 770.39 1.928 458 768.55 1.924 596 765.26 1.915 486
D2O
KBr disc
nujol mull
4880 A,200 M,powder
