3,6-Bis(chloromethyl)durene(3022-16-0) IR2
Product Name3,6-Bis(chloromethyl)durene
CAS3022-16-0
Molecular FormulaC12H16Cl2
Molecular Weight231.16
InChIInChI=1S/C12H16Cl2/c1-7-8(2)12(6-14)10(4)9(3)11(7)5-13/h5-6H2,1-4H3
InChIKey PGFAKOSRZYDFLR-UHFFFAOYSA-N
SmilesC1(CCl)=C(C)C(C)=C(CCl)C(C)=C1C
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MassMS-IW-8183 1,4-bis(chloromethyl)-2,3,5,6-tetramethylbenzene C12H16Cl2 (Mass of molecular ion: 230)
Source Temperature: 150 °C Sample Temperature: 120 °C Direct, 75 eV
36.0 1.3 39.0 1.3 41.0 1.3 51.0 1.5 53.0 1.0 64.0 2.1 65.0 2.0 71.0 2.4 77.0 3.8 78.0 1.7 79.0 3.0 91.0 2.8 97.0 1.4 105.0 2.5 115.0 2.9 117.0 1.7 119.0 1.3 127.0 1.1 128.0 4.1 129.0 5.2 130.0 2.7 131.0 1.7 141.0 1.3 143.0 1.7 144.0 3.6 145.0 6.1 146.0 1.0 147.0 1.3 159.0 11.0 160.0 8.5 161.0 2.7 162.0 1.0 180.0 1.1 181.0 2.2 194.0 1.2 195.0 100.0 196.0 14.0 197.0 33.2 198.0 4.4 230.0 25.4 231.0 3.9 232.0 16.4 233.0 2.2 234.0 2.7
400 MHz in CDCl3
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1H NMR 399.65 MHz C12 H16 Cl2 0.035 g : 0.5 ml CDCl3 1,4-bis(chloromethyl)-2,3,5,6-tetramethylbenzene 
Assign. Shift(ppm)
A 4.685 B 2.343
Hz ppm Int.1872.68 4.686 386 936.52 2.344 1000
in CDCl3
KBr disc
nujol mull
