diethyl benzylphosphonate(1080-32-6) MS
Product Namediethyl benzylphosphonate
CAS1080-32-6
Molecular FormulaC11H17O3P
Molecular Weight228.22
InChIInChI=1S/C11H17O3P/c1-3-13-15(12,14-4-2)10-11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3
InChIKey AIPRAPZUGUTQKX-UHFFFAOYSA-N
SmilesP(CC1=CC=CC=C1)(=O)(OCC)OCC
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MassMS-IW-8661 diethyl benzylphosphonate C11H17O3P (Mass of molecular ion: 228)
Source Temperature: 210 °C Sample Temperature: 150 °C Reservoir, 75 eV
27.0 2.2 28.0 1.4 29.0 5.1 39.0 3.6 41.0 1.4 45.0 1.7 51.0 1.8 63.0 2.8 65.0 17.6 77.0 1.6 79.0 1.1 80.0 1.4 81.0 17.2 89.0 4.3 90.0 3.1 91.0 100.0 92.0 29.6 93.0 5.9 96.0 10.4 97.0 16.0 104.0 1.5 105.0 13.3 106.0 1.2 107.0 2.3 109.0 29.6 117.0 4.0 118.0 34.5 119.0 7.8 124.0 27.0 125.0 1.1 137.0 1.5 146.0 1.1 154.0 2.2 172.0 22.9 173.0 3.3 185.0 5.3 199.0 8.6 200.0 12.4 201.0 2.0 213.0 2.4 227.0 1.3 228.0 30.4 229.0 5.1
400 MHz in CDCl3
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1H NMR 399.65 MHz C11 H17 O3 P 0.05 ml : 0.5 ml CDCl3 diethyl benzylphosphonate 
Assign. Shift(ppm)
A 7.29 B 7.23 C 4.00 D 3.138 E 1.224
Hz ppm Int.2917.36 7.300 453 2912.60 7.288 596 2908.20 7.277 41 2905.52 7.271 33 2904.17 7.267 33 2897.58 7.251 38 2895.39 7.245 52 2894.53 7.243 48 2893.80 7.241 43 2893.07 7.240 48 2890.99 7.234 60 2888.92 7.229 54 2886.72 7.224 63 2884.52 7.218 30 2883.79 7.216 30 2882.08 7.212 31 1615.72 4.043 36 1612.67 4.036 75 1609.74 4.028 82 1608.64 4.026 56 1607.91 4.024 55 1605.59 4.018 232 1604.98 4.016 130 1602.66 4.011 223 1601.44 4.008 117 1598.51 4.000 263 1597.78 3.998 258 1595.70 3.993 230 1594.36 3.990 232 1592.53 3.985 69 1591.43 3.983 135 1590.70 3.981 233 1588.62 3.976 102 1587.40 3.972 214 1585.45 3.968 55 1584.23 3.965 65 1583.62 3.963 88 1580.32 3.955 76 1577.15 3.947 41 1264.77 3.165 384 1243.41 3.112 376 496.34 1.242 607 495.97 1.242 568 489.38 1.225 1000 488.89 1.224 913 482.18 1.207 548 481.81 1.206 553
in CDCl3
liquid film
