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MS-NW-6427 (S)-(+)-1,3-butanediol C4H10O2 (Mass of molecular ion: 90)
Source Temperature: 260 °C Sample Temperature: 190 °C Reservoir, 75 eV
14.0 1.1 15.0 6.2 17.0 1.0 18.0 5.5 19.0 22.7 26.0 2.7 27.0 17.0 28.0 24.0 29.0 16.2 30.0 1.8 31.0 25.7 37.0 1.0 38.0 1.4 39.0 8.1 40.0 2.3 41.0 13.1 42.0 17.0 43.0 91.8 44.0 23.4 45.0 100.0 46.0 6.5 47.0 2.2 53.0 1.7 54.0 2.4 55.0 7.2 56.0 1.4 57.0 28.6 58.0 1.7 62.0 1.1 71.0 3.1 72.0 31.6 73.0 2.0 75.0 11.8 85.0 1.6 101.0 2.9
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C4 H10 O2 0.05 ml : 0.5 ml DMSO-d6 (S)-(+)-1,3-butanediol Assign. Shift(ppm)
A 4.42 B 4.39 C 3.722 D 3.479 E 1.49 F 1.054
Hz ppm Int.
1768.31 4.425 330 1763.55 4.413 339 1760.74 4.406 163 1755.74 4.394 323 1750.61 4.381 160 1499.15 3.752 37 1494.14 3.739 67 1492.92 3.736 62 1491.82 3.733 48 1487.92 3.724 82 1486.94 3.721 80 1483.03 3.711 50 1481.81 3.708 63 1480.71 3.706 64 1475.71 3.693 37 1400.15 3.504 96 1398.68 3.500 102 1393.55 3.487 225 1392.33 3.484 162 1388.31 3.474 182 1386.96 3.471 206 1381.71 3.458 101 1380.74 3.455 91 615.48 1.541 47 608.28 1.523 104 601.93 1.507 162 600.83 1.504 108 598.02 1.497 83 595.46 1.490 111 594.48 1.488 165 592.90 1.484 101 591.19 1.480 148 588.01 1.472 92 586.06 1.467 151 584.47 1.463 97 579.35 1.450 90 577.76 1.446 55 572.63 1.433 42 424.19 1.062 1000 417.97 1.046 943
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