NICOTINIC ACID HYDRAZIDE(553-53-7) IR1
Product NameNICOTINIC ACID HYDRAZIDE
CAS553-53-7
Molecular FormulaC6H7N3O
Molecular Weight137.14
InChIInChI=1S/C6H7N3O/c7-9-6(10)5-2-1-3-8-4-5/h1-4H,7H2,(H,9,10)
InChIKey KFUSANSHCADHNJ-UHFFFAOYSA-N
SmilesC1=NC=CC=C1C(NN)=O
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MassMS-NW-0723 nicotinohydrazide C6H7N3O (Mass of molecular ion: 137)
Source Temperature: 160 °C Sample Temperature: 120 °C Direct, 75 eV
18.0 2.4 26.0 1.8 27.0 2.5 28.0 5.4 29.0 1.6 30.0 1.0 31.0 4.9 37.0 1.2 38.0 1.9 39.0 2.0 49.0 1.9 50.0 11.8 51.0 39.0 52.0 7.2 53.0 2.3 75.0 1.2 76.0 1.8 77.0 2.3 78.0 93.2 79.0 7.8 104.0 1.5 106.0 100.0 107.0 7.2 137.0 35.0 138.0 2.8
90 MHz in D2O
parameter in DMSO-d6
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1H NMR 89.56 MHz C6 H7 N3 O 0.042 g : 0.5 ml D2O nicotinohydrazide 
Assign. Shift(ppm)
A 8.80 B 8.667 C 8.117 D 7.553 SOLVENT PEAK REMOVED
Hz ppm Int.787.00 8.788 1000 778.31 8.691 703 773.19 8.634 741 731.88 8.172 531 723.44 8.078 713 682.44 7.620 630 677.38 7.564 600 674.44 7.531 498 669.38 7.475 439
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1H NMR 300 MHz C6 H7 N3 O 30 % in DMSO nicotinohydrazide Parameter ppm Hz
D(A) 9.17 D(B) 8.32 D(C) 7.63 D(D) 8.84 J(A,B) 1.6 J(A,C) 0.8 J(A,D) 0.0 J(B,C) 7.9 J(B,D) 1.9 J(C,D) 4.7 D(E) 10.10 D(F) 5.25 BRUEGEL,W. Z.ELEKTROCHEM.(BER.BUNSENGES.PHYS.CHEM.) 66, 159 (1962) H(E) & H(F):BROAD.
Hz ppm Int.3030.01 10.100 500 2752.13 9.174 179 2751.41 9.171 205 2750.64 9.169 206 2749.92 9.166 181 2655.32 8.851 132 2653.48 8.845 138 2650.60 8.835 139 2648.76 8.829 139 2501.78 8.339 72 2500.02 8.333 120 2498.32 8.328 72 2493.87 8.313 79 2492.16 8.307 132 2490.41 8.301 76 2295.58 7.652 87 2294.91 7.650 88 2290.87 7.636 88 2290.19 7.634 89 2287.68 7.626 85 2287.00 7.623 84 2282.96 7.610 79 2282.29 7.608 79 1574.99 5.250 1000
in D2O
KBr disc
nujol mull
