NIALAMIDE(51-12-7) 1H NMR
Molecular FormulaC16H18N4O2
Molecular Weight298.34
InChIInChI=1S/C16H18N4O2/c21-15(18-12-13-4-2-1-3-5-13)8-11-19-20-16(22)14-6-9-17-10-7-14/h1-7,9-10,19H,8,11-12H2,(H,18,21)(H,20,22)
InChIKey NOIIUHRQUVNIDD-UHFFFAOYSA-N
SmilesC1=NC=CC(C(NNCCC(=O)NCC2=CC=CC=C2)=O)=C1
-
MassMS-NW-9231 isonicotino(2-(2-(benzylcarbamoyl)ethyl)hydrazide) C16H18N4O2 (Mass of molecular ion: 298)
Source Temperature: 200 °C Sample Temperature: 180 °C Direct, 75 eV
17.0 5.1 18.0 26.1 27.0 4.6 28.0 12.4 29.0 2.2 30.0 5.8 31.0 1.4 39.0 3.3 41.0 1.7 42.0 2.3 43.0 5.9 44.0 82.8 45.0 3.1 50.0 4.2 51.0 18.3 52.0 4.3 53.0 1.2 55.0 9.9 56.0 1.3 57.0 2.8 58.0 1.2 59.0 3.9 63.0 1.4 65.0 10.1 70.0 2.1 77.0 6.1 78.0 32.4 79.0 20.6 80.0 2.2 84.0 2.2 85.0 1.7 89.0 1.7 90.0 1.1 91.0 100.0 92.0 10.5 93.0 1.1 104.0 4.1 105.0 5.7 106.0 67.1 107.0 19.5 108.0 3.7 117.0 6.4 118.0 4.4 122.0 5.5 123.0 23.6 124.0 2.2 132.0 2.5 133.0 1.0 137.0 5.8 148.0 4.9 149.0 17.3 150.0 11.8 151.0 1.0 160.0 2.4 161.0 6.9 162.0 3.5 163.0 1.1 176.0 2.7 177.0 60.3 178.0 7.3 298.0 3.1 299.0 1.3
400 MHz in DMSO-d6
-
1H NMR 399.65 MHz C16 H18 N4 O2 0.036 g : 0.5 ml DMSO-d6 isonicotino(2-(2-(benzylcarbamoyl)ethyl)hydrazide) 
Assign. Shift(ppm)
A 10.3 B 8.732 C 8.44 D 7.755 E 7.32 F 7.28 G 7.24 J 5.44 K 4.292 L 3.073 M 2.391
Hz ppm Int.4145.35 10.373 203 4139.40 10.358 218 3497.77 8.753 82 3492.89 8.740 793 3491.36 8.737 562 3488.46 8.729 537 3486.94 8.725 818 3377.69 8.452 137 3375.40 8.446 99 3371.89 8.438 254 3365.94 8.423 136 3102.42 7.763 1000 3100.89 7.760 636 3097.99 7.752 624 3096.47 7.748 980 2933.50 7.341 253 2931.98 7.337 144 2926.18 7.322 674 2925.26 7.320 541 2921.14 7.310 277 2919.16 7.305 810 2912.14 7.287 688 2910.61 7.283 976 2903.90 7.267 462 2900.24 7.257 274 2898.86 7.254 279 2897.19 7.250 188 2893.98 7.242 184 2891.69 7.236 372 2889.25 7.230 125 2886.35 7.223 107 2884.67 7.218 146 2179.11 5.453 160 1718.44 4.300 713 1712.49 4.285 707 1237.03 3.096 158 1235.20 3.091 146 1230.47 3.079 361 1224.52 3.064 373 1217.96 3.048 164 962.68 2.409 381 955.81 2.392 761 948.79 2.375 361
in DMSO-d6
KBr disc
nujol mull
4880 A,200 M,powder
