N-(4-Nitrobenzoyl)-beta-alanine(59642-21-6) MS
Product NameN-(4-Nitrobenzoyl)-beta-alanine
CAS59642-21-6
Molecular FormulaC10H10N2O5
Molecular Weight238.2
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MassMS-NW-7925 N-(4-nitrobenzoyl)-beta-alanine C10H10N2O5 (Mass of molecular ion: 238)
Source Temperature: 190 °C Sample Temperature: 160 °C Direct, 75 eV
18.0 3.6 27.0 2.8 28.0 3.3 29.0 1.6 30.0 2.4 38.0 1.1 39.0 1.8 42.0 1.5 43.0 2.3 44.0 2.0 45.0 2.6 50.0 10.8 51.0 3.7 55.0 3.2 56.0 1.5 63.0 1.9 64.0 3.0 65.0 3.1 70.0 9.4 71.0 1.8 73.0 1.2 74.0 3.9 75.0 10.7 76.0 22.6 77.0 3.7 88.0 45.2 89.0 2.1 92.0 11.2 93.0 1.1 98.0 1.6 103.0 6.3 104.0 33.1 105.0 3.1 120.0 12.6 121.0 2.2 122.0 1.2 134.0 3.3 145.0 1.0 149.0 1.7 150.0 100.0 151.0 13.4 152.0 1.6 164.0 1.2 166.0 1.1 167.0 2.2 175.0 1.6 178.0 4.2 179.0 3.2 191.0 3.2 192.0 17.4 193.0 4.8 220.0 1.2 221.0 4.8 238.0 14.8 239.0 1.9
400 MHz in CDCl3
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1H NMR 399.65 MHz C10 H10 N2 O5 0.042 g : 0.5 ml DMSO-d6 N-(4-nitrobenzoyl)-beta-alanine 
Assign. Shift(ppm)
A 12.4 B 8.91 C 8.325 D 8.082 E 3.520 F 2.574 J(E,B)=5.2HZ
Hz ppm Int.4967.66 12.431 30 3564.24 8.919 97 3558.93 8.906 192 3553.61 8.892 100 3334.55 8.344 100 3332.17 8.338 846 3330.15 8.333 265 3325.20 8.321 301 3323.19 8.316 1000 3320.81 8.310 143 3236.55 8.099 124 3234.17 8.093 952 3231.97 8.088 279 3227.21 8.076 257 3225.20 8.071 786 3222.81 8.065 109 1416.43 3.545 156 1409.28 3.527 371 1403.79 3.513 380 1396.83 3.496 168 1035.62 2.592 356 1028.66 2.574 772 1021.52 2.557 340
in DMSO-d6
KBr disc
nujol mull
