2-Bromomethyl-1,3-dioxolane(4360-63-8) IR1
Product Name2-Bromomethyl-1,3-dioxolane
CAS4360-63-8
Molecular FormulaC4H7BrO2
Molecular Weight167
InChIInChI=1S/C4H7BrO2/c5-3-4-6-1-2-7-4/h4H,1-3H2
InChIKey CKIIJIDEWWXQEA-UHFFFAOYSA-N
SmilesO1CCOC1CBr
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MassMS-NW-8578 2-bromomethyl-1,3-dioxolane C4H7BrO2 (Mass of molecular ion: 166)
Source Temperature: 250 °C Sample Temperature: 130 °C Reservoir, 75 eV
14.0 1.2 15.0 6.9 19.0 3.5 26.0 1.8 27.0 10.9 28.0 1.8 29.0 10.5 31.0 8.4 42.0 3.4 43.0 13.7 44.0 1.7 45.0 32.0 57.0 6.2 73.0 100.0 74.0 3.5 87.0 3.0 93.0 2.4 95.0 2.2 107.0 1.0 121.0 2.1 123.0 2.3 165.0 1.2 167.0 1.3
400 MHz in CDCl3
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1H NMR 399.65 MHz C4 H7 Br O2 0.05 ml : 0.5 ml CDCl3 2-bromomethyl-1,3-dioxolane 
Assign. Shift(ppm)
A 5.146 B *1 4.059 C *1 3.957 D 3.402
Hz ppm Int.2060.91 5.157 245 2056.76 5.147 497 2052.73 5.137 280 1630.98 4.082 168 1627.81 4.074 31 1625.98 4.069 198 1624.76 4.066 304 1623.78 4.064 540 1622.19 4.060 405 1620.12 4.054 325 1617.07 4.047 357 1607.54 4.023 117 1596.68 3.996 109 1587.04 3.972 304 1584.11 3.964 267 1582.03 3.959 305 1580.32 3.955 521 1579.47 3.953 425 1578.25 3.950 357 1573.12 3.937 188 1565.80 3.918 33 1365.11 3.416 35 1361.94 3.408 922 1357.91 3.398 1000
in CDCl3
liquid film
4880 A,200 M,liquid
