4-N-PROPOXYPHTHALONITRILE(106144-18-7) 13C NMR
Product Name4-N-PROPOXYPHTHALONITRILE
CAS106144-18-7
Molecular FormulaC11H10N2O
Molecular Weight186.21
InChIInChI=1S/C11H10N2O/c1-2-5-14-11-4-3-9(7-12)10(6-11)8-13/h3-4,6H,2,5H2,1H3
InChIKey RDLZRCSOLOTEPK-UHFFFAOYSA-N
SmilesC1(C#N)=CC=C(OCCC)C=C1C#N
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MassMS-NW-9771 4-propoxyphthalonitrile C11H10N2O (Mass of molecular ion: 186)
Source Temperature: 140 °C Sample Temperature: 100 °C Direct, 75 eV
18.0 1.5 27.0 12.3 28.0 1.3 37.0 1.2 38.0 1.2 39.0 6.1 40.0 1.0 41.0 25.9 42.0 6.7 43.0 70.8 44.0 2.3 50.0 1.2 52.0 1.0 62.0 1.8 63.0 2.0 64.0 2.8 75.0 1.8 76.0 2.4 88.0 1.8 89.0 2.6 100.0 5.5 101.0 1.5 115.0 2.1 116.0 6.5 117.0 1.1 127.0 6.2 128.0 1.4 129.0 1.0 144.0 100.0 145.0 56.9 146.0 5.2 157.0 2.3 158.0 4.0 173.0 1.4 186.0 52.7 187.0 12.4 188.0 1.2
400 MHz in CDCl3
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1H NMR 399.65 MHz C11 H10 N2 O 0.033 g : 0.5 ml CDCl3 4-propoxyphthalonitrile 
Assign. Shift(ppm)
A 7.724 B 7.274 C 7.208 D 4.032 E 1.866 F 1.065
Hz ppm Int.3090.21 7.733 369 3081.54 7.711 380 2908.69 7.279 310 2906.13 7.272 371 2885.99 7.222 228 2883.42 7.215 181 2877.20 7.200 204 2874.63 7.193 173 1617.92 4.049 310 1611.45 4.033 632 1604.98 4.016 321 764.89 1.914 37 757.45 1.896 129 750.85 1.879 266 743.41 1.861 268 736.94 1.844 139 736.21 1.843 107 729.61 1.826 42 432.98 1.084 514 425.54 1.065 1000 418.21 1.047 470
in CDCl3
KBr disc
nujol mull
