Phthalazine(253-52-1) IR2
Product NamePhthalazine
CAS253-52-1
Molecular FormulaC8H6N2
Molecular Weight130.15
InChIInChI=1S/C8H6N2/c1-2-4-8-6-10-9-5-7(8)3-1/h1-6H
InChIKey LFSXCDWNBUNEEM-UHFFFAOYSA-N
SmilesC1C2=C(C=CC=C2)C=NN=1
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MassMS-NW-2514 phthalazine C8H6N2 (Mass of molecular ion: 130)
Source Temperature: 150 °C Sample Temperature: 100 °C Direct, 75 eV
28.0 1.6 37.0 1.8 38.0 1.9 39.0 3.6 49.0 1.4 50.0 17.9 51.0 9.2 52.0 5.8 61.0 1.0 62.0 1.7 63.0 5.0 74.0 6.0 75.0 8.9 76.0 38.4 77.0 3.1 101.0 1.3 102.0 14.0 103.0 26.1 104.0 2.0 129.0 7.4 130.0 100.0 131.0 9.9
parameter in acetone
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1H NMR 300 MHz C8 H6 N2 in acetone phthalazine 
Parameter ppm Hz
D(A) 9.595 D(B) 8.129 D(C) 8.004 J(A,A') 0.0 J(A,B) 0.0 J(A,B') 0.4 J(A,C) 0.0 J(A,C') 0.0 J(A',B) 0.4 J(A',B') 0.0 J(A',C) 0.0 J(A',C') 0.0 J(B,B') 0.57 J(B,C) 8.17 J(B,C') 1.24 J(B',C) 1.24 J(B',C') 8.17 J(C,C') 6.76 BLACK,P.J. & HEFFERNAN,M.L. AUST.J.CHEM. 18, 707 (1965)
Hz ppm Int.2878.50 9.595 1000 2447.86 8.160 16 2446.64 8.155 21 2443.88 8.146 197 2440.62 8.135 198 2437.71 8.126 191 2434.44 8.115 300 2431.16 8.104 49 2408.81 8.029 54 2405.47 8.018 342 2402.36 8.008 192 2402.04 8.007 191 2399.30 7.998 238 2396.04 7.987 216 2393.22 7.977 22 2392.08 7.974 17
in CDCl3
CCl4 solution
KBr disc
nujol mull
