Propyphenazone(479-92-5) 13C NMR
Product NamePropyphenazone
CAS479-92-5
Molecular FormulaC14H18N2O
Molecular Weight230.31
InChIInChI=1S/C14H18N2O/c1-10(2)13-11(3)15(4)16(14(13)17)12-8-6-5-7-9-12/h5-10H,1-4H3
InChIKey PXWLVJLKJGVOKE-UHFFFAOYSA-N
SmilesN1(C)C(C)=C(C(C)C)C(=O)N1C1=CC=CC=C1
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MassMS-IW-3428 4-isopropyl-2,3-dimethyl-1-phenyl-3-pyrazolin-5-one C14H18N2O (Mass of molecular ion: 230)
Source Temperature: 130 °C Sample Temperature: 110 °C Direct, 75 eV
15.0 1.3 27.0 1.4 28.0 1.4 29.0 1.2 39.0 2.9 41.0 3.8 42.0 3.2 43.0 1.3 51.0 2.9 53.0 1.9 55.0 2.1 56.0 21.2 65.0 1.8 66.0 1.1 67.0 2.8 77.0 9.1 80.0 1.1 81.0 2.5 82.0 1.6 91.0 1.0 92.0 1.1 93.0 1.2 94.0 2.0 95.0 1.6 96.0 6.6 100.0 1.8 107.5 1.9 115.0 1.8 122.0 4.5 138.0 3.3 172.0 1.3 185.0 1.1 201.0 3.8 202.0 1.4 215.0 100.0 216.0 14.9 217.0 1.3 229.0 1.7 230.0 46.2 231.0 7.7
400 MHz in CDCl3
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1H NMR 399.65 MHz C14 H18 N2 O 0.037 g : 0.5 ml CDCl3 4-isopropyl-2,3-dimethyl-1-phenyl-3-pyrazolin-5-one 
Assign. Shift(ppm)
A 7.43 B 7.41 C 7.214 D 2.951 E 2.797 F 2.178 G 1.287
Hz ppm Int.2973.14 7.440 31 2967.29 7.425 689 2964.48 7.418 232 2963.38 7.415 86 2962.04 7.412 182 2890.75 7.234 31 2888.06 7.227 43 2884.77 7.219 60 2882.08 7.212 54 2879.27 7.205 47 2876.46 7.198 33 1179.32 2.951 990 1125.00 2.815 56 1118.04 2.798 76 1110.96 2.780 59 870.48 2.179 1000 518.19 1.297 806 511.11 1.279 807
in CDCl3
KBr disc
nujol mull
