3-Quinuclidinol(1619-34-7) IR2
Product Name3-Quinuclidinol
CAS1619-34-7
Molecular FormulaC7H13NO
Molecular Weight127.18
InChIInChI=1S/C7H13NO/c9-7-5-8-3-1-6(7)2-4-8/h6-7,9H,1-5H2
InChIKey IVLICPVPXWEGCA-UHFFFAOYSA-N
SmilesN12CCC(CC1)C(O)C2
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MassMS-NW-2156 3-quinuclidinol C7H13NO (Mass of molecular ion: 127)
Source Temperature: 260 °C Sample Temperature: 170 °C Reservoir, 75 eV
15.0 4.8 18.0 2.6 27.0 7.6 28.0 3.9 29.0 4.5 30.0 8.4 31.0 1.4 39.0 5.5 40.0 1.0 41.0 11.7 42.0 100.0 43.0 28.3 44.0 9.4 53.0 2.5 54.0 3.0 55.0 9.2 56.0 8.1 57.0 10.4 58.0 26.2 59.0 1.0 67.0 1.8 68.0 3.9 69.0 6.0 70.0 12.9 71.0 4.4 72.0 2.8 73.0 4.3 80.0 1.1 81.0 1.5 82.0 11.0 83.0 6.9 84.0 4.7 85.0 1.1 86.0 2.5 96.0 8.5 97.0 1.9 98.0 12.1 99.0 5.2 108.0 1.1 109.0 1.0 110.0 5.9 112.0 6.8 126.0 7.5 127.0 37.8 128.0 3.1
400 MHz in CDCl3
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1H NMR 399.65 MHz C7 H13 N O 0.036 g : 0.5 ml CDCl3 3-quinuclidinol 
Assign. Shift(ppm)
A 4.5 B 3.791 C *1 3.087 D *2 2.886 E *2 2.75 F *2 2.628 G *1 2.570 J *3 1.951 K 1.783 L *4 1.671 M *4 1.458 N *3 1.349 ASSIGNED BY H-H COSY.
Hz ppm Int.1784.55 4.466 127 1520.26 3.804 641 1518.92 3.801 681 1516.60 3.795 457 1515.38 3.792 680 1514.28 3.790 498 1511.84 3.783 674 1510.62 3.780 702 1246.34 3.119 467 1244.02 3.113 490 1238.04 3.098 470 1235.72 3.093 505 1232.30 3.084 557 1229.98 3.078 577 1224.00 3.063 493 1221.68 3.057 513 1157.84 2.898 464 1155.15 2.891 482 1152.22 2.884 488 1109.86 2.778 465 1108.03 2.773 426 1104.61 2.764 488 1102.05 2.758 662 1099.24 2.751 762 1097.17 2.746 728 1096.07 2.743 724 1092.77 2.735 555 1090.21 2.728 524 1088.26 2.724 503 1085.82 2.717 538 1052.37 2.634 492 1049.80 2.627 520 1047.36 2.621 487 1036.25 2.593 692 1033.57 2.587 841 1030.52 2.579 506 1022.09 2.558 459 1019.17 2.551 637 1016.48 2.544 424 784.06 1.962 367 781.37 1.956 460 778.56 1.949 462 776.12 1.942 394 717.65 1.796 546 714.36 1.788 980 711.18 1.780 1000 708.01 1.772 585 679.44 1.701 333 674.32 1.688 335 671.26 1.680 461 669.19 1.675 379 667.60 1.671 416 666.26 1.668 506 662.60 1.658 384 661.25 1.655 398 657.35 1.645 340 656.13 1.642 368 596.44 1.493 341 593.63 1.486 348 590.70 1.479 365 586.06 1.467 513 583.25 1.460 582 580.32 1.453 561 577.64 1.446 430 535.77 1.341 385 528.20 1.322 221
in CDCl3
KBr disc
nujol mull
