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N-ETHYL-N-BUTAN-4-OL-NITROSAMINE(54897-62-0) MS
Product NameN-ETHYL-N-BUTAN-4-OL-NITROSAMINE
CAS54897-62-0
Molecular FormulaC6H14N2O2
Molecular Weight146.19
InChIInChI=1S/C6H14N2O2/c1-2-8(7-10)5-3-4-6-9/h9H,2-6H2,1H3
InChIKey SAWPRHGGVOPPSR-UHFFFAOYSA-N
SmilesC(O)CCCN(CC)N=O
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MassMS-NW-1415 4-(N-ethyl-N-nitrosoamino)-1-butanol C6H14N2O2 (Mass of molecular ion: 146)
Source Temperature: 270 °C Sample Temperature: 180 °C Reservoir, 75 eV
14.0 1.0 15.0 9.5 17.0 3.5 18.0 15.3 19.0 3.2 26.0 4.6 27.0 39.6 28.0 62.2 29.0 92.4 30.0 46.0 31.0 76.7 32.0 1.4 38.0 1.2 39.0 13.2 40.0 3.4 41.0 43.2 42.0 99.4 43.0 63.7 44.0 57.2 45.0 6.4 46.0 8.6 47.0 1.5 52.0 1.0 53.0 4.2 54.0 6.4 55.0 67.2 56.0 100.0 57.0 91.1 58.0 75.9 59.0 6.8 67.0 1.0 68.0 6.6 69.0 4.0 70.0 16.1 71.0 31.6 72.0 15.7 73.0 9.1 74.0 5.4 75.0 8.1 80.0 1.0 82.0 3.3 84.0 4.9 85.0 1.7 86.0 1.2 87.0 49.7 88.0 12.1 96.0 1.3 97.0 2.1 98.0 24.3 99.0 3.4 100.0 12.8 101.0 3.5 102.0 1.0 114.0 1.9 115.0 8.5 116.0 3.5 128.0 1.4 129.0 63.8 130.0 4.8 146.0 1.1
90 MHz in CDCl3
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1H NMR 89.56 MHz C6 H14 N2 O2 0.04 ml : 0.5 ml CDCl3 4-(N-ethyl-N-nitrosoamino)-1-butanol 
Assign. Shift(ppm)
A 4.15 B 4.12 C 3.69 D 3.64 E 3.61 F 3.60 G 2.56 J 2.26 to 1.31 K 1.413 L 1.107
Hz ppm Int.376.56 4.205 151 375.25 4.190 326 369.63 4.128 277 368.00 4.109 338 362.56 4.049 175 337.00 3.763 189 330.75 3.694 402 327.06 3.652 386 325.88 3.639 348 324.81 3.627 278 322.50 3.601 177 319.88 3.572 455 229.38 2.562 1000 145.13 1.621 161 142.81 1.595 238 141.69 1.583 147 141.25 1.578 161 139.75 1.561 185 136.06 1.520 238 133.31 1.489 358 126.06 1.408 673 118.81 1.327 267 106.06 1.185 343 98.88 1.105 746 91.75 1.025 295
liquid film
