n-Butyl carbamate(592-35-8) IR1
Product Namen-Butyl carbamate
CAS592-35-8
Molecular FormulaC5H11NO2
Molecular Weight117.15
InChIInChI=1S/C5H11NO2/c1-2-3-4-8-5(6)7/h2-4H2,1H3,(H2,6,7)
InChIKey SKKTUOZKZKCGTB-UHFFFAOYSA-N
SmilesC(OCCCC)(=O)N
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MassMS-NW-1424 butyl carbamate C5H11NO2 (Mass of molecular ion: 117)
Source Temperature: 260 °C Sample Temperature: 180 °C Reservoir, 75 eV
15.0 2.1 16.0 2.2 17.0 1.5 18.0 11.0 19.0 1.4 26.0 2.1 27.0 18.5 28.0 9.7 29.0 20.1 31.0 29.2 39.0 9.0 40.0 2.0 41.0 39.3 42.0 4.5 43.0 12.0 44.0 72.9 45.0 18.9 46.0 2.8 53.0 1.0 55.0 21.8 56.0 59.0 57.0 5.5 59.0 3.4 62.0 100.0 63.0 1.5 72.0 1.0 73.0 10.9 74.0 22.8 75.0 1.5 88.0 6.8
90 MHz in CDCl3
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1H NMR 89.56 MHz C5 H11 N O2 0.045 g : 0.5 ml CDCl3 butyl carbamate 
Assign. Shift(ppm)
A 5.1 B 4.051 C 1.58 D 1.40 E 0.94
Hz ppm Int.369.50 4.126 350 363.06 4.054 984 356.63 3.983 473 144.31 1.612 206 142.19 1.588 163 138.75 1.550 226 138.13 1.543 250 136.81 1.528 231 136.50 1.525 223 135.38 1.512 163 134.88 1.507 133 134.31 1.500 139 133.25 1.488 268 131.81 1.472 187 129.19 1.443 139 127.69 1.426 182 127.31 1.422 186 126.56 1.414 121 125.56 1.402 177 122.00 1.363 170 118.94 1.329 176 112.50 1.257 150 89.88 1.004 438 83.50 0.933 1000 82.00 0.916 294 77.31 0.864 155 76.06 0.850 200
in CDCl3
CCl4 solution
KBr disc
nujol mull
