1-Pyrrolidinobutyronitrile(35543-25-0) IR1
Product Name1-Pyrrolidinobutyronitrile
CAS35543-25-0
Molecular FormulaC8H14N2
Molecular Weight138.21
InChIInChI=1S/C8H14N2/c9-5-1-2-6-10-7-3-4-8-10/h1-4,6-8H2
InChIKey OSDDDHPYSNZBPF-UHFFFAOYSA-N
SmilesN1(CCCC#N)CCCC1
-
MassMS2015-05140CW 4-(1-pyrrolidinyl)butyronitrile C8H14N2 (Mass of molecular ion: 138)
Source Temperature: 250 °C Sample Temperature: 250 °C Reservoir, 70 eV
27.0 2.6 29.0 1.2 30.0 1.8 39.0 3.5 40.0 1.0 41.0 7.5 42.0 15.5 43.0 3.7 53.0 1.1 54.0 2.6 55.0 8.6 56.0 3.8 57.0 5.4 67.0 1.1 68.0 4.1 69.0 3.0 70.0 3.4 80.0 2.0 81.0 1.9 82.0 2.4 83.0 3.5 84.0 100.0 85.0 7.7 96.0 2.5 97.0 2.2 98.0 2.8 109.0 1.3 134.0 1.6 137.0 12.8 138.0 13.3 139.0 1.4
400 MHz in CDCl3
in DMSO-d6
-
1H NMR 399.65 MHz C8 H14 N2 0.05 ml : 0.5 ml CDCl3 4-(1-pyrrolidinyl)butyronitrile 
Assign. Shift(ppm)
A 2.558 B 2.493 C 2.441 D 1.842 E 1.772
Hz ppm Int.1029.54 2.577 529 1022.58 2.559 902 1015.50 2.541 563 1006.47 2.519 102 1005.62 2.517 99 1002.56 2.509 435 1001.10 2.505 351 1000.00 2.503 345 998.41 2.499 452 995.73 2.492 782 993.16 2.486 433 991.58 2.482 314 990.36 2.479 329 989.01 2.475 426 985.35 2.466 97 983.15 2.461 535 975.95 2.443 1000 968.75 2.424 570 750.00 1.877 156 742.92 1.859 559 735.84 1.842 712 728.76 1.824 469 721.68 1.806 155 718.14 1.797 93 714.97 1.789 445 713.38 1.786 286 711.91 1.782 509 708.25 1.773 927 706.54 1.768 381 704.47 1.763 468 703.00 1.760 254 701.42 1.756 378 698.24 1.748 85 693.85 1.737 53
-
in CDCl3
in DMSO-d6
liquid film
