2-Amino-5,6-dihydro-4H-cyclopentathiazole hydrochloride(82514-58-7) 1H NMR
Molecular FormulaC6H8N2S.ClH
Molecular Weight176.67
InChIInChI=1S/C6H8N2S.ClH/c7-6-8-4-2-1-3-5(4)9-6;/h1-3H2,(H2,7,8);1H
InChIKey XKEVCDYDIQVBRN-UHFFFAOYSA-N
SmilesC12CCCC=1SC(N)=N2.Cl
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MassMS-NW-6267 2-amino-5,6-dihydro-4H-cyclopentathiazole hydrochloride C6H8N2S HCl (Mass of molecular ion: 140)
Source Temperature: 180 °C Sample Temperature: 210 °C Direct, 75 eV
17.0 1.9 18.0 6.5 26.0 2.1 27.0 6.7 28.0 7.3 32.0 1.0 35.0 5.7 36.0 23.9 37.0 1.8 38.0 8.5 39.0 10.7 40.0 2.8 41.0 4.3 42.0 2.7 43.0 6.3 45.0 10.2 47.0 1.2 50.0 2.0 51.0 4.2 52.0 5.4 53.0 11.0 54.0 8.8 55.0 3.1 56.0 1.1 57.0 3.6 58.0 11.1 59.0 4.1 60.0 11.7 61.0 1.9 62.0 1.3 63.0 1.9 64.0 1.1 65.0 5.4 66.0 1.7 67.0 3.2 68.0 1.2 69.0 11.5 70.0 11.5 71.0 8.6 72.0 2.8 73.0 1.0 78.0 1.5 79.0 2.1 80.0 16.0 81.0 36.6 82.0 3.1 83.0 1.6 84.0 1.1 85.0 2.3 86.0 3.5 95.0 1.2 96.0 2.1 97.0 28.5 98.0 11.0 99.0 2.6 105.0 1.2 106.0 1.3 107.0 12.4 108.0 1.3 112.0 6.2 113.0 4.2 114.0 1.3 123.0 1.5 125.0 1.3 138.0 1.1 139.0 61.2 140.0 100.0 141.0 10.3 142.0 4.9
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C6 H8 N2 S 0.040 g : 0.5 ml DMSO-d6 2-amino-5,6-dihydro-4H-cyclopentathiazole hydrochloride 
Assign. Shift(ppm)
A 9.42 B *1 2.70 C *1 2.66 D 2.354
Hz ppm Int.3765.11 9.422 434 1085.21 2.716 550 1083.07 2.711 520 1081.54 2.707 532 1078.34 2.699 1000 1074.37 2.689 611 1071.32 2.681 969 1069.34 2.676 939 1062.32 2.659 945 1056.37 2.644 589 1054.23 2.638 623 1048.28 2.623 56 954.13 2.388 292 950.78 2.380 189 946.66 2.369 722 943.91 2.362 345 939.79 2.352 979 935.67 2.342 350 932.46 2.334 579 925.45 2.316 209 921.48 2.306 51 920.72 2.304 50 914.31 2.288 31
in DMSO-d6
KBr disc
nujol mull
