1,2,3,4,5,6,7,8-OCTAHYDROACRIDINE(1658-08-8) IR2
Product Name1,2,3,4,5,6,7,8-OCTAHYDROACRIDINE
CAS1658-08-8
Molecular FormulaC13H17N
Molecular Weight187.28
InChIInChI=1S/C13H17N/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12/h9H,1-8H2
InChIKey LLCXJIQXTXEQID-UHFFFAOYSA-N
SmilesC1C2C(=NC3=C(C=2)CCCC3)CCC1
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MassMS-NW-3294 1,2,3,4,5,6,7,8-octahydroacridine C13H17N (Mass of molecular ion: 187)
Source Temperature: 290 °C Sample Temperature: 180 °C Reservoir, 75 eV
27.0 2.3 39.0 4.7 41.0 3.5 50.0 1.1 51.0 3.4 52.0 1.6 53.0 2.0 63.0 2.2 64.0 1.0 65.0 3.8 65.5 1.2 71.5 1.6 72.0 1.6 76.0 1.0 77.0 5.2 77.5 1.5 78.0 2.4 78.5 1.7 79.0 2.3 79.5 1.0 83.5 1.3 84.5 1.0 89.0 1.6 91.0 5.8 92.0 1.0 103.0 2.0 104.0 1.3 105.0 1.1 115.0 3.3 116.0 2.0 117.0 3.4 118.0 1.8 128.0 1.6 129.0 1.1 130.0 4.8 131.0 5.2 132.0 1.7 133.0 1.3 142.0 1.5 143.0 4.2 144.0 6.6 145.0 3.3 146.0 5.3 147.0 1.0 154.0 1.1 156.0 2.7 157.0 1.7 158.0 15.1 159.0 25.6 160.0 4.4 168.0 1.3 170.0 2.1 171.0 2.6 172.0 13.6 173.0 2.4 182.0 1.1 184.0 4.3 185.0 2.8 186.0 85.6 187.0 100.0 188.0 14.0 189.0 1.0 200.0 1.1 201.0 1.5
400 MHz in CDCl3
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1H NMR 399.65 MHz C13 H17 N 0.047 g : 0.5 ml CDCl3 1,2,3,4,5,6,7,8-octahydroacridine 
Assign. Shift(ppm)
A 7.019 B 2.848 C 2.683 D 1.859 E 1.769
Hz ppm Int.2805.30 7.020 558 1157.47 2.897 36 1156.74 2.895 37 1144.65 2.865 550 1138.43 2.849 1000 1131.84 2.833 562 1091.67 2.732 32 1078.61 2.699 543 1072.02 2.683 917 1065.92 2.668 499 756.47 1.893 250 753.17 1.885 240 750.12 1.877 497 746.70 1.869 472 745.00 1.865 653 741.21 1.855 460 740.72 1.854 451 738.89 1.849 698 735.84 1.842 173 734.38 1.838 230 732.30 1.833 266 729.37 1.826 108 724.85 1.814 73 720.34 1.803 133 717.04 1.795 303 714.97 1.789 300 713.62 1.786 212 710.69 1.779 740 708.62 1.774 508 704.59 1.764 650 702.39 1.758 413 699.58 1.751 475 696.29 1.743 190 693.48 1.736 165
in CDCl3
KBr disc
nujol mull
