CIS-DECAHYDROISOQUINOLINE(2744-08-3) MS
Product NameCIS-DECAHYDROISOQUINOLINE
CAS2744-08-3
Molecular FormulaC9H17N
Molecular Weight139.24
InChIInChI=1/C9H17N/c1-2-4-9-7-10-6-5-8(9)3-1/h8-10H,1-7H2/t8-,9+/s3
InChIKey NENLYAQPNATJSU-MASDURLHNA-N
SmilesC1[C@@]2([H])[C@]([H])(CCCC2)CCN1 |&1:1,3,r|
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MassMS-KW-0405 cis-decahydroisoquinoline C9H17N (Mass of molecular ion: 139)
Source Temperature: 240 °C Sample Temperature: 150 °C Reservoir, 75 eV
27.0 6.1 28.0 5.4 29.0 8.2 30.0 50.3 31.0 1.2 39.0 8.5 40.0 1.4 41.0 17.2 42.0 12.7 43.0 31.6 44.0 100.0 45.0 3.4 46.0 1.4 51.0 2.7 52.0 1.4 53.0 5.1 54.0 6.6 55.0 13.3 56.0 31.8 57.0 31.2 58.0 3.3 65.0 2.2 66.0 1.2 67.0 15.1 68.0 6.2 69.0 3.5 70.0 6.4 71.0 1.5 77.0 3.1 78.0 2.0 79.0 7.6 80.0 4.8 81.0 6.6 82.0 13.0 83.0 3.6 84.0 2.7 85.0 1.3 91.0 2.0 93.0 5.1 94.0 6.2 95.0 3.7 96.0 59.2 97.0 6.1 98.0 1.5 102.0 1.4 105.0 2.2 107.0 1.5 108.0 6.4 109.0 4.5 110.0 6.1 111.0 2.7 117.0 1.2 118.0 1.1 122.0 2.0 124.0 10.3 128.0 1.0 129.0 5.0 130.0 1.9 132.0 5.4 133.0 4.6 136.0 2.9 137.0 3.1 138.0 38.4 139.0 36.8 140.0 4.7
400 MHz in CDCl3
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1H NMR 399.65 MHz C9H17N 0.05 ml : 0.5 ml CDCl3 at 50C cis-decahydroisoquinoline 
Assign. Shift(ppm)
A *1 2.965 B *2 2.836 C *2 2.729 D *1 2.652 E 1.79 F 1.67 G 1.57 J 1.46 K 1.36
Hz ppm Int.1191.78 2.982 277 1184.33 2.963 303 1180.18 2.953 316 1143.68 2.861 292 1138.92 2.849 317 1131.11 2.830 446 1126.47 2.818 459 1095.71 2.741 548 1092.53 2.733 585 1080.21 2.702 378 1070.56 2.678 367 1067.14 2.670 354 1061.89 2.657 339 1058.35 2.648 500 1049.44 2.626 265 1046.03 2.617 252 717.17 1.794 417 713.02 1.784 408 681.28 1.705 390 667.73 1.671 1000 663.21 1.659 899 659.06 1.649 670 633.67 1.586 567 624.52 1.563 596 609.99 1.526 333 597.91 1.496 382 584.60 1.463 520 575.57 1.440 422 571.54 1.430 466 567.39 1.420 326 548.59 1.373 835 541.02 1.354 931 521.73 1.306 326
in CDCl3
