QUINUCLIDINE(100-76-5) Raman
Product NameQUINUCLIDINE
CAS100-76-5
Molecular FormulaC7H13N
Molecular Weight111.18
InChIInChI=1S/C7H13N/c1-4-8-5-2-7(1)3-6-8/h7H,1-6H2
InChIKey SBYHFKPVCBCYGV-UHFFFAOYSA-N
SmilesN12CCC(CC1)CC2
-
MassMS-NW-7215 quinuclidine C7H13N (Mass of molecular ion: 111)
Source Temperature: 210 °C Sample Temperature: 180 °C Reservoir, 75 eV
15.0 2.2 26.0 1.0 27.0 7.6 28.0 5.4 29.0 4.8 30.0 2.0 39.0 6.6 40.0 1.3 41.0 10.8 42.0 100.0 43.0 5.2 44.0 1.2 51.0 1.1 53.0 3.8 54.0 5.9 55.0 19.7 56.0 6.1 57.0 8.8 67.0 2.0 68.0 5.5 69.0 12.6 70.0 2.5 80.0 1.0 81.0 2.4 82.0 31.3 83.0 13.4 84.0 1.6 96.0 19.7 97.0 1.6 110.0 17.8 111.0 32.6 112.0 2.7
400 MHz in CDCl3
90 MHz in CDCl3
-
1H NMR 399.65 MHz C7 H13 N 0.034 g : 0.5 ml CDCl3 quinuclidine 
Assign. Shift(ppm)
A 2.855 B 1.734 C 1.532 J(B,C)=3.2HZ. 90MHZ. : HSP-04-861
Hz ppm Int.1159.91 2.903 57 1159.55 2.902 57 1149.05 2.876 936 1141.24 2.856 953 1138.92 2.850 687 1133.30 2.836 1000 1122.31 2.809 36 703.13 1.760 34 699.95 1.752 127 696.66 1.744 298 693.48 1.736 416 690.31 1.728 341 687.13 1.720 159 683.96 1.712 42 621.09 1.555 606 617.80 1.546 653 615.97 1.542 538 612.55 1.533 780 610.84 1.529 765 605.47 1.516 658 602.17 1.507 539
-
1H NMR 89.56 MHz C7 H13 N 0.038 g : 0.5 ml CDCl3 quinuclidine Assign. Shift(ppm)
A 2.847 B 1.74 C 1.53 400MHZ. : HSP-41-773
Hz ppm Int.264.00 2.948 784 256.31 2.862 925 253.56 2.832 647 248.50 2.775 1000 242.94 2.713 81 242.50 2.708 76 240.69 2.688 59 162.25 1.812 75 159.13 1.777 174 156.00 1.742 266 152.94 1.708 283 150.13 1.677 230 145.75 1.628 656 143.06 1.598 567 141.06 1.576 525 140.75 1.572 527 140.44 1.569 525 137.94 1.541 776 130.50 1.458 581 127.63 1.426 403 123.13 1.375 67
in CDCl3
KBr disc
nujol mull
