NITROCYCLOPENTANE(2562-38-1) 1H NMR
Product NameNITROCYCLOPENTANE
CAS2562-38-1
Molecular FormulaC5H9NO2
Molecular Weight115.13
InChIInChI=1S/C5H9NO2/c7-6(8)5-3-1-2-4-5/h5H,1-4H2
InChIKey CJSZWOGCKKDSJG-UHFFFAOYSA-N
SmilesC1([N+]([O-])=O)CCCC1
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MassMS-NW-8619 nitrocyclopentane C5H9NO2 (Mass of molecular ion: 115)
Source Temperature: 260 °C Sample Temperature: 140 °C Reservoir, 75 eV
26.0 1.3 27.0 10.1 28.0 3.1 29.0 3.4 30.0 2.3 38.0 2.2 39.0 25.8 40.0 5.3 41.0 100.0 42.0 6.6 43.0 2.3 51.0 1.4 53.0 7.0 54.0 1.1 55.0 1.2 57.0 1.3 65.0 2.4 66.0 1.6 67.0 32.1 68.0 24.5 69.0 95.2 70.0 5.3
400 MHz in CDCl3
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1H NMR 399.65 MHz C5 H9 N O2 0.05 ml : 0.5 ml CDCl3 nitrocyclopentane 
Assign. Shift(ppm)
A 4.909 B *1 2.260 C *1 2.124 D *2 1.875 E *2 1.703
Hz ppm Int.1974.37 4.941 278 1970.21 4.930 524 1966.43 4.921 682 1962.40 4.911 1000 1958.25 4.900 714 1954.47 4.891 568 1950.32 4.881 313 907.59 2.271 626 903.32 2.261 682 901.98 2.257 709 900.39 2.253 644 898.80 2.249 592 897.58 2.246 626 896.12 2.243 631 895.39 2.241 621 893.43 2.236 582 865.48 2.166 311 857.91 2.147 688 857.18 2.145 690 853.03 2.135 437 851.20 2.130 710 850.22 2.128 849 843.99 2.112 673 843.51 2.111 676 842.53 2.109 684 838.50 2.099 329 835.94 2.092 529 760.38 1.903 370 759.28 1.900 360 757.81 1.897 560 752.81 1.884 842 748.66 1.874 903 746.46 1.868 681 745.24 1.865 643 741.94 1.857 677 694.58 1.738 322 692.87 1.734 330 690.06 1.727 492 688.48 1.723 677 687.38 1.720 820 686.04 1.717 615 684.81 1.714 643 683.11 1.710 814 681.52 1.706 938 680.42 1.703 925 677.49 1.696 878 676.15 1.692 779 675.17 1.690 643 672.12 1.682 688 670.78 1.679 448 669.56 1.676 436 668.70 1.674 342
in CDCl3
liquid film
