Product Name4-Bromotoluene
CAS106-38-7
Molecular FormulaC7H7Br
Molecular Weight171.03
InChIInChI=1S/C7H7Br/c1-6-2-4-7(8)5-3-6/h2-5H,1H3
InChIKey ZBTMRBYMKUEVEU-UHFFFAOYSA-N
SmilesC1(Br)=CC=C(C)C=C1
Mass
MS-NW-8353 p-bromotoluene C7H7Br (Mass of molecular ion: 170)
Source Temperature: 250 °C Sample Temperature: 140 °C Reservoir, 75 eV
27.0 1.0 37.0 1.1 38.0 2.3 39.0 8.6 41.0 1.4 43.0 1.2 44.0 1.3 45.0 2.7 50.0 4.8 51.0 3.9 61.0 1.6 62.0 3.8 63.0 9.4 64.0 2.4 65.0 17.7 66.0 1.0 74.0 1.4 75.0 1.3 85.0 1.2 86.0 1.5 89.0 9.1 90.0 7.2 91.0 100.0 92.0 7.8 169.0 4.4 170.0 39.2 171.0 7.2 172.0 38.1 173.0 2.9
parameter in CDCl3
1H NMR | 300 MHz |
C7 H7 Br | 5.0 mol% in CCl4 |
p-bromotoluene |
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Parameter ppm Hz |
Hz ppm Int.
2193.29 7.311 24 2190.76 7.303 198 2188.84 7.296 70 2184.36 7.281 77 2182.39 7.275 236 2179.91 7.266 30 2093.66 6.979 30 2091.13 6.970 237 2089.21 6.964 77 2084.68 6.949 71 2082.76 6.943 197 2080.24 6.934 24 684.01 2.280 1000
in CDCl3
CCl4 solution
KBr disc
liquid film
4-Bromotoluene(106-38-7) IR2 Atlas of Related Products
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