4-Chlorophthalic anhydride(118-45-6) 13C NMR
Product Name4-Chlorophthalic anhydride
CAS118-45-6
Molecular FormulaC8H3ClO3
Molecular Weight182.56
InChIInChI=1S/C8H3ClO3/c9-4-1-2-5-6(3-4)8(11)12-7(5)10/h1-3H
InChIKey BTTRMCQEPDPCPA-UHFFFAOYSA-N
SmilesC1(=O)C2=C(C=C(Cl)C=C2)C(=O)O1
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MassMS-IW-4950 4-chlorophthalic anhydride C8H3ClO3 (Mass of molecular ion: 182)
Source Temperature: 130 °C Sample Temperature: 110 °C Direct, 75 eV
28.0 1.4 36.0 1.4 37.0 9.1 37.5 3.0 38.0 3.1 49.0 3.7 50.0 11.3 51.0 3.6 53.0 1.3 55.0 12.5 55.5 1.2 56.0 4.2 60.0 1.6 61.0 2.3 62.0 1.5 63.0 1.3 69.0 6.3 70.0 2.0 72.0 1.3 73.0 9.9 74.0 31.5 75.0 43.2 76.0 3.3 77.0 1.7 84.0 5.6 86.0 1.7 103.0 1.0 108.0 1.0 109.0 1.5 110.0 63.5 111.0 4.7 112.0 20.7 113.0 1.4 138.0 100.0 139.0 8.0 140.0 33.1 141.0 2.6 154.0 2.7 156.0 2.7 182.0 73.8 183.0 6.6 184.0 27.5 185.0 2.4 226.0 3.7 228.0 3.6
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C8 H3 Cl O3 0.041 g : 0.5 ml DMSO-d6 4-chlorophthalic anhydride 
Assign. Shift(ppm)
A 8.228 B 8.095 C 8.054
Hz ppm Int.3289.64 8.232 685 3289.03 8.230 790 3287.96 8.228 828 3287.35 8.226 698 3241.12 8.110 435 3240.51 8.109 381 3237.76 8.102 27 3237.15 8.100 28 3235.78 8.097 47 3233.03 8.090 1000 3232.27 8.088 894 3228.45 8.079 28 3227.84 8.077 27 3226.47 8.074 26 3222.35 8.063 845 3220.67 8.059 774 3216.40 8.049 30 3214.26 8.043 379 3212.43 8.039 331
in DMSO-d6
KBr disc
nujol mull
