2-(Bromomethyl)naphthalene(939-26-4) IR2
Product Name2-(Bromomethyl)naphthalene
CAS939-26-4
Molecular FormulaC11H9Br
Molecular Weight221.09
InChIInChI=1S/C11H9Br/c12-8-9-5-6-10-3-1-2-4-11(10)7-9/h1-7H,8H2
InChIKey RUHJZSZTSCSTCC-UHFFFAOYSA-N
SmilesC1=C2C(C=CC=C2)=CC=C1CBr
-
MassMS-IW-8269 2-(bromomethyl)naphthalene C11H9Br (Mass of molecular ion: 220)
Source Temperature: 180 °C Sample Temperature: 150 °C Direct, 75 eV
39.0 2.0 50.0 1.9 51.0 1.9 57.5 6.5 58.0 1.2 62.0 2.2 63.0 3.9 65.0 1.3 69.0 2.7 69.5 5.1 70.0 3.9 70.5 9.8 71.0 2.1 74.0 1.7 75.0 1.4 86.0 1.2 87.0 1.6 88.0 1.3 89.0 3.1 110.0 2.2 111.0 2.1 113.0 2.1 114.0 1.7 115.0 14.0 116.0 2.0 139.0 11.0 140.0 4.3 141.0 100.0 142.0 14.5 143.0 1.1 220.0 11.8 221.0 2.1 222.0 11.5 223.0 1.7
400 MHz in CDCl3
-
1H NMR 399.65 MHz C11 H9 Br 0.035 g : 0.5 ml CDCl3 2-(bromomethyl)naphthalene 
Assign. Shift(ppm)
A 7.81 B 7.80 C 7.78 D 7.49 E 7.48 F 7.46 G 4.641 ASSIGNED BY C-H COSY
Hz ppm Int.3128.17 7.828 61 3125.49 7.821 210 3117.43 7.801 669 3114.50 7.794 235 3110.47 7.783 93 3108.40 7.778 139 3003.78 7.517 23 3000.00 7.507 21 2995.48 7.496 196 2994.26 7.493 154 2993.41 7.491 158 2991.58 7.486 320 2988.89 7.479 170 2987.67 7.476 247 2985.35 7.470 267 2982.06 7.462 308 2979.00 7.455 36 2977.78 7.451 46 2975.10 7.445 21 1854.74 4.641 1000
in CDCl3
KBr disc
nujol mull
