2,2-Bis(bromomethyl)propane-1,3-diol(3296-90-0) 13C NMR
Product Name2,2-Bis(bromomethyl)propane-1,3-diol
CAS3296-90-0
Molecular FormulaC5H10Br2O2
Molecular Weight261.94
InChIInChI=1S/C5H10Br2O2/c6-1-5(2-7,3-8)4-9/h8-9H,1-4H2
InChIKey CHUGKEQJSLOLHL-UHFFFAOYSA-N
SmilesC(O)C(CBr)(CBr)CO
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MassMS-NW-8180 2,2-bis(bromomethyl)-1,3-propanediol C5H10Br2O2 (Mass of molecular ion: 260)
Source Temperature: 150 °C Sample Temperature: 110 °C Direct, 75 eV
15.0 1.2 18.0 4.5 26.0 1.1 27.0 12.6 28.0 2.9 29.0 13.3 31.0 35.8 38.0 2.1 39.0 23.5 40.0 3.5 41.0 47.2 42.0 5.6 43.0 45.0 44.0 2.4 49.0 1.8 50.0 1.0 51.0 2.6 52.0 1.0 53.0 43.9 54.0 4.4 55.0 29.1 56.0 1.9 57.0 13.4 69.0 8.6 70.0 4.0 71.0 70.0 72.0 3.2 80.0 1.5 82.0 1.5 83.0 6.9 93.0 2.5 95.0 2.4 101.0 7.4 107.0 1.0 109.0 1.0 119.0 2.9 121.0 4.7 123.0 2.7 132.0 7.3 133.0 41.2 134.0 9.0 135.0 41.2 136.0 2.0 137.0 1.9 149.0 2.6 150.0 10.8 151.0 48.1 152.0 12.6 153.0 44.5 154.0 2.0 163.0 5.8 165.0 5.7 181.0 10.9 183.0 10.7 212.0 51.2 213.0 2.4 214.0 100.0 215.0 4.4 216.0 48.6 217.0 2.2
400 MHz in CDCl3
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1H NMR 399.65 MHz C5 H10 Br2 O2 saturated in CDCl3 2,2-bis(bromomethyl)-1,3-propanediol 
Assign. Shift(ppm)
A 3.768 B 3.521 C 2.10
Hz ppm Int.1505.98 3.769 175 1407.35 3.522 1000 840.94 2.105 32
in CDCl3
KBr disc
nujol mull
