ISOVALERALDEHYDE 2,4-DINITROPHENYLHYDRAZONE(2256-01-1) MS
Product NameISOVALERALDEHYDE 2,4-DINITROPHENYLHYDRAZONE
CAS2256-01-1
Molecular FormulaC11H14N4O4
Molecular Weight266.25
InChIInChI=1S/C11H14N4O4/c1-8(2)5-6-12-13-10-4-3-9(14(16)17)7-11(10)15(18)19/h3-4,6-8,13H,5H2,1-2H3
InChIKey MCWYOPWJODIZJK-UHFFFAOYSA-N
SmilesC(=NNC1=CC=C([N+]([O-])=O)C=C1[N+]([O-])=O)CC(C)C
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MassMS-IW-8134 isovaleraldehyde 2,4-dinitrophenylhydrazone C11H14N4O4 (Mass of molecular ion: 266)
Source Temperature: 160 °C Sample Temperature: 140 °C Direct, 75 eV
15.0 1.2 26.0 1.1 27.0 34.3 28.0 13.8 29.0 19.6 30.0 23.1 37.0 1.0 38.0 3.9 39.0 17.1 40.0 3.3 41.0 54.7 42.0 9.8 43.0 86.8 44.0 4.5 45.0 3.7 50.0 5.0 51.0 14.5 52.0 9.1 53.0 5.9 54.0 2.6 55.0 29.9 56.0 21.0 57.0 11.5 58.0 2.2 61.0 1.6 62.0 7.4 63.0 18.9 64.0 12.8 65.0 7.8 66.0 3.5 67.0 6.1 68.0 8.9 69.0 45.7 70.0 4.2 71.0 1.1 74.0 4.4 75.0 20.9 76.0 13.7 77.0 32.8 78.0 22.5 79.0 23.9 80.0 5.2 81.0 1.7 82.0 4.7 83.0 2.9 84.0 4.7 85.0 1.4 87.0 4.0 88.0 1.9 89.0 4.6 90.0 8.6 91.0 11.1 92.0 17.0 93.0 4.4 94.0 1.2 95.0 1.2 102.0 6.2 103.0 23.2 104.0 19.8 105.0 8.1 106.0 4.6 107.0 3.3 108.0 1.7 115.0 1.8 116.0 2.9 117.0 4.3 118.0 5.2 119.0 6.9 120.0 3.5 121.0 1.9 122.0 29.4 123.0 2.5 128.0 1.2 129.0 2.8 130.0 8.0 131.0 8.5 132.0 5.1 133.0 2.3 134.0 1.6 135.0 2.7 136.0 1.6 137.0 3.1 138.0 4.3 143.0 1.7 144.0 2.4 145.0 2.1 146.0 1.4 147.0 5.1 148.0 2.7 149.0 22.7 150.0 9.1 151.0 3.0 152.0 31.1 153.0 6.7 156.0 1.4 157.0 3.2 158.0 2.4 159.0 2.1 160.0 3.3 161.0 2.2 162.0 5.1 163.0 2.8 164.0 4.4 165.0 5.7 166.0 4.6 167.0 5.6 168.0 1.7 172.0 2.5 173.0 1.3 176.0 8.1 177.0 21.1 178.0 4.8 179.0 2.1 180.0 19.7 181.0 5.8 183.0 26.8 184.0 8.1 185.0 7.7 186.0 1.6 189.0 1.7 190.0 5.7 191.0 4.0 192.0 1.3 193.0 37.3 194.0 3.8 196.0 24.4 197.0 2.2 202.0 2.5 203.0 6.2 204.0 3.0 205.0 2.5 206.0 37.6 207.0 18.9 208.0 4.0 209.0 1.5 210.0 2.3 216.0 1.9 217.0 1.3 218.0 1.2 223.0 23.0 224.0 23.5 225.0 2.6 231.0 15.5 232.0 3.0 233.0 7.0 234.0 1.6 248.0 1.2 249.0 1.4 250.0 3.3 251.0 4.6 265.0 1.5 266.0 100.0 267.0 21.8 268.0 2.7
400 MHz in CDCl3
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1H NMR 399.65 MHz C11 H14 N4 O4 0.032 g : 0.5 ml CDCl3 isovaleraldehyde 2,4-dinitrophenylhydrazone 
Assign. Shift(ppm)
A 11.0 B 9.103 C 8.289 D 7.938 E 7.561 F 2.332 G 1.990 J 1.031
Hz ppm Int.4411.46 11.039 63 3639.53 9.107 176 3636.93 9.101 181 3319.70 8.307 58 3318.94 8.305 63 3317.11 8.301 59 3316.35 8.299 60 3310.09 8.283 68 3309.33 8.281 72 3307.50 8.276 70 3306.73 8.275 70 3177.19 7.950 153 3167.57 7.926 134 3027.65 7.576 56 3021.85 7.562 114 3016.05 7.547 58 938.72 2.349 153 932.92 2.335 183 931.85 2.332 201 926.06 2.318 174 802.31 2.008 53 795.44 1.991 65 788.73 1.974 53 415.50 1.040 1000 408.78 1.023 985
in CDCl3
KBr disc
nujol mull
