TRIMETHYLENE BORATE(20905-35-5) 1H NMR
Product NameTRIMETHYLENE BORATE
CAS20905-35-5
Molecular FormulaC9H18B2O6
Molecular Weight243.86
InChIInChI=1S/C9H18B2O6/c1-4-12-10(13-5-1)16-8-3-9-17-11-14-6-2-7-15-11/h1-9H2
InChIKey FZNHHPNJQSIEPT-UHFFFAOYSA-N
SmilesC(OB1OCCCO1)CCOB1OCCCO1
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MassMS-NW-5577 2,2'-(trimethylenedioxy)bis(1,3,2-dioxaborinane) C9H18B2O6 (Mass of molecular ion: 244)
Source Temperature: 270 °C Sample Temperature: 190 °C Reservoir, 75 eV
26.0 1.6 27.0 5.6 28.0 13.2 29.0 4.1 31.0 5.9 39.0 5.0 40.0 1.6 41.0 46.5 42.0 6.0 43.0 1.8 44.0 4.5 45.0 15.8 54.0 1.7 55.0 2.2 56.0 2.5 57.0 9.1 58.0 5.8 59.0 5.7 67.0 1.7 68.0 1.2 69.0 1.7 70.0 2.3 71.0 5.8 72.0 3.8 74.0 1.3 75.0 4.5 83.0 5.3 84.0 10.8 85.0 18.8 86.0 3.6 87.0 8.7 88.0 2.9 89.0 5.1 97.0 1.3 98.0 3.9 99.0 11.4 100.0 5.0 101.0 10.9 102.0 3.6 103.0 9.0 112.0 3.6 113.0 13.2 114.0 13.1 115.0 40.4 116.0 2.1 126.0 1.5 127.0 5.3 128.0 9.5 129.0 15.0 130.0 3.0 140.0 2.7 141.0 33.5 142.0 100.0 143.0 9.4 144.0 1.0 154.0 1.3 155.0 3.3 156.0 1.9 157.0 1.0 158.0 3.0 159.0 5.6 168.0 1.1 184.0 1.5 185.0 4.0 186.0 8.5 187.0 13.4 188.0 1.1
400 MHz in CDCl3
90 MHz in CDCl3
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1H NMR 399.65 MHz C9 H18 B2 O6 0.05 ml : 0.5 ml CDCl3 2,2'-(trimethylenedioxy)bis(1,3,2-dioxaborinane) 
Assign. Shift(ppm)
A 4.024 B 3.839 C 1.906 D 1.772
Hz ppm Int.1613.40 4.038 809 1607.91 4.024 1000 1602.42 4.010 711 1546.14 3.869 49 1540.77 3.856 345 1534.42 3.840 615 1528.08 3.824 321 780.03 1.952 31 778.20 1.948 32 772.09 1.932 153 766.60 1.919 336 761.23 1.905 429 755.62 1.891 287 750.24 1.878 114 720.70 1.804 65 718.38 1.798 36 714.36 1.788 184 708.01 1.772 250 701.54 1.756 166 695.19 1.740 46
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1H NMR 89.56 MHz C9 H18 B2 O6 0.04 ml : 0.5 ml CDCl3 2,2'-(trimethylenedioxy)bis(1,3,2-dioxaborinane) Assign. Shift(ppm)
A 4.016 B 3.844 C 1.89 D 1.78
Hz ppm Int.365.44 4.081 675 360.00 4.020 1000 354.44 3.958 785 350.75 3.917 331 344.31 3.845 667 337.94 3.774 334 180.44 2.015 102 179.00 1.999 38 174.94 1.954 272 171.44 1.915 170 170.69 1.906 195 169.50 1.893 397 165.56 1.849 267 164.75 1.840 241 163.88 1.830 250 159.25 1.779 281 155.44 1.736 31 152.88 1.708 147 146.50 1.636 35
in CDCl3
liquid film
4880 A,200 M,liquid
