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MS-NW-7096 (+-)-trans-1,2-cyclobutanedicarboxylic acid C6H8O4 (Mass of molecular ion: 144)
Source Temperature: 180 °C Sample Temperature: 120 °C Direct, 75 eV
14.0 1.0 15.0 2.4 17.0 1.6 18.0 6.2 25.0 1.2 26.0 18.2 27.0 70.4 28.0 33.4 29.0 25.4 31.0 3.6 37.0 1.7 38.0 3.3 39.0 24.3 40.0 2.5 41.0 16.1 42.0 9.3 43.0 39.9 44.0 9.1 45.0 39.3 46.0 2.9 49.0 1.3 50.0 5.4 51.0 7.9 52.0 4.6 53.0 38.9 54.0 25.3 55.0 69.7 56.0 9.9 57.0 17.5 58.0 6.0 60.0 1.9 68.0 1.4 69.0 12.1 70.0 12.7 71.0 14.6 72.0 16.0 73.0 50.7 74.0 2.2 80.0 7.8 81.0 26.7 82.0 17.1 83.0 2.4 84.0 1.4 85.0 1.9 86.0 1.4 88.0 1.2 97.0 10.4 98.0 100.0 99.0 38.1 100.0 11.7 108.0 15.0 109.0 1.2 117.0 13.7 126.0 75.5 127.0 8.2
400 MHz in D2O
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1H NMR 399.65 MHz C6 H8 O4 0.036 g : 0.5 ml D2O (+-)-trans-1,2-cyclobutanedicarboxylic acid Assign. Shift(ppm)
B 3.446 C 2.173 THE SOLVENT SIGNAL REMOVED.
Hz ppm Int.
1385.86 3.468 374 1384.28 3.464 289 1383.18 3.461 331 1379.27 3.452 518 1376.71 3.445 905 1375.49 3.442 448 1374.39 3.439 378 1370.36 3.429 385 1368.16 3.424 368 877.32 2.196 250 875.24 2.191 434 873.29 2.186 816 872.07 2.183 1000 870.12 2.178 969 867.68 2.172 900 864.87 2.165 995 863.28 2.161 891 860.96 2.155 356 858.76 2.149 209 856.57 2.144 164
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