Paraquat dichloride(1910-42-5) MS
Product NameParaquat dichloride
CAS1910-42-5
Molecular FormulaC12H14Cl2N2
Molecular Weight257.16
InChIInChI=1S/C12H14N2.2ClH/c1-13-7-3-11(4-8-13)12-5-9-14(2)10-6-12;;/h3-10H,1-2H3;2*1H/q+2;;/p-2
InChIKey FIKAKWIAUPDISJ-UHFFFAOYSA-L
SmilesC1(C=C[N+](C)=CC=1)C1C=C[N+](C)=CC=1.[Cl-].[Cl-]
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MassMS-NW-1950 1,1'-dimethyl-4,4'-bipyridinium dichloride C12H14Cl2N2 3H2O (Mass of molecular ion: 256)
Source Temperature: 210 °C Sample Temperature: 230 °C Direct, 75 eV
15.0 11.7 18.0 2.0 26.0 1.9 28.0 2.1 35.0 1.5 36.0 9.7 38.0 3.1 39.0 1.9 47.0 2.0 48.0 1.1 49.0 3.3 50.0 43.1 51.0 11.1 52.0 13.1 62.0 1.5 63.0 3.8 74.0 2.4 75.0 4.6 76.0 6.8 77.0 3.3 78.0 5.0 79.0 2.4 89.0 1.7 93.0 1.1 101.0 3.8 102.0 7.1 103.0 6.9 104.0 1.6 116.0 4.6 127.0 1.0 128.0 8.6 129.0 9.6 130.0 5.0 155.0 33.2 156.0 100.0 157.0 11.6 170.0 1.6 171.0 10.6 172.0 1.5 186.0 3.1
400 MHz in D2O
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1H NMR 399.65 MHz C12 H14 Cl2 N2 0.031 g : 0.5 ml D2O 1,1'-dimethyl-4,4'-bipyridinium dichloride 
Assign. Shift(ppm)
A 9.099 B 8.576 C 4.550
Hz ppm Int.3639.89 9.108 242 3633.06 9.091 259 3430.66 8.585 201 3423.83 8.568 191 1818.60 4.551 1000
in D2O
KBr disc
