Tropinone(532-24-1) IR1
Molecular FormulaC8H13NO
Molecular Weight139.2
InChIInChI=1S/C8H13NO/c1-9-6-2-3-7(9)5-8(10)4-6/h6-7H,2-5H2,1H3
InChIKey QQXLDOJGLXJCSE-UHFFFAOYSA-N
SmilesC12N(C)C(CC1)CC(=O)C2
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MassMS-NW-1917 tropinone C8H13NO (Mass of molecular ion: 139)
Source Temperature: 240 °C Sample Temperature: 180 °C Reservoir, 75 eV
15.0 9.1 18.0 1.8 26.0 1.7 27.0 9.3 28.0 7.8 29.0 3.2 30.0 3.0 39.0 9.0 40.0 1.8 41.0 10.6 42.0 53.5 43.0 6.0 44.0 2.1 51.0 1.2 53.0 3.3 54.0 5.2 55.0 20.2 56.0 6.3 57.0 6.1 65.0 1.1 67.0 4.4 68.0 7.2 69.0 2.3 70.0 4.9 80.0 3.9 81.0 65.3 82.0 100.0 83.0 18.2 84.0 1.3 94.0 2.8 96.0 33.5 97.0 11.4 98.0 1.1 110.0 8.1 111.0 3.5 139.0 23.2 140.0 2.4
90 MHz in CDCl3
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1H NMR 89.56 MHz C8 H13 N O 0.044 g : 0.5 ml CDCl3 tropinone 
Assign. Shift(ppm)
A 3.45 B 2.67 C 2.491 D 2.17 E 2.13 F 1.63
Hz ppm Int.310.88 3.472 36 309.75 3.459 41 308.69 3.447 45 307.63 3.435 41 306.81 3.426 38 306.31 3.421 38 305.13 3.407 31 305.00 3.406 31 304.81 3.404 31 235.88 2.634 43 231.44 2.585 38 223.13 2.492 1000 220.81 2.466 31 204.38 2.283 82 202.75 2.264 86 201.75 2.253 78 200.88 2.243 49 189.69 2.119 37 188.94 2.110 46 188.19 2.102 51 187.13 2.090 53 186.50 2.083 52 185.56 2.072 64 184.06 2.056 38 147.31 1.645 59 139.13 1.554 49
in CDCl3
KBr disc
nujol mull
