1,8-Bis(chloromethyl)naphthalene(50585-29-0) MS
Product Name1,8-Bis(chloromethyl)naphthalene
CAS50585-29-0
Molecular FormulaC12H10Cl2
Molecular Weight225.11
InChIInChI=1S/C12H10Cl2/c13-7-10-5-1-3-9-4-2-6-11(8-14)12(9)10/h1-6H,7-8H2
InChIKey RBOMVULADCTBLK-UHFFFAOYSA-N
SmilesC1(CCl)=C2C(C=CC=C2CCl)=CC=C1
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MassMS-IW-0633 1,8-bis(chloromethyl)naphthalene C12H10Cl2 (Mass of molecular ion: 224)
Source Temperature: 140 °C Sample Temperature: 120 °C Direct, 75 eV
36.0 2.1 50.0 1.2 51.0 2.3 62.0 1.2 63.0 7.1 64.0 2.7 74.0 1.3 75.0 4.2 75.5 5.1 76.0 26.8 76.5 9.9 77.0 4.6 94.0 1.5 115.0 1.3 126.0 1.7 127.0 1.7 139.0 1.8 141.0 3.1 142.0 1.6 150.0 3.3 151.0 8.1 152.0 27.0 153.0 36.4 154.0 15.3 155.0 3.2 169.0 1.4 170.0 3.5 187.0 8.4 188.0 1.7 189.0 100.0 190.0 13.9 191.0 32.3 192.0 4.5 224.0 31.9 225.0 4.5 226.0 21.0 227.0 2.8 228.0 3.5
400 MHz in CDCl3
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1H NMR 399.65 MHz C12 H10 Cl2 0.022 g : 0.5 ml CDCl3 1,8-bis(chloromethyl)naphthalene 
Assign. Shift(ppm)
A 7.897 B 7.602 C 7.464 D 5.324
Hz ppm Int.3161.13 7.910 129 3159.79 7.907 141 3152.83 7.889 144 3151.49 7.886 156 3042.97 7.615 123 3041.50 7.611 126 3035.89 7.597 155 3034.42 7.593 165 2990.23 7.483 154 2983.15 7.465 142 2982.06 7.462 174 2974.98 7.444 113 2128.05 5.325 1000
in CDCl3
