PROPIOIN(4984-85-4) MS
Molecular FormulaC6H12O2
Molecular Weight116.16
InChIInChI=1S/C6H12O2/c1-3-5(7)6(8)4-2/h5,7H,3-4H2,1-2H3
InChIKey SKCYVGUCBRYGTE-UHFFFAOYSA-N
SmilesCCC(=O)C(O)CC
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MassMS-NW-6628 propioin C6H12O2 (Mass of molecular ion: 116)
Source Temperature: 260 °C Sample Temperature: 190 °C Reservoir, 75 eV
15.0 1.2 18.0 1.4 26.0 2.0 27.0 10.9 28.0 3.6 29.0 27.9 30.0 1.3 31.0 42.6 39.0 3.7 41.0 20.6 42.0 1.4 43.0 3.1 45.0 1.9 55.0 2.1 56.0 1.8 57.0 41.8 58.0 23.1 59.0 100.0 60.0 3.5 69.0 2.4 73.0 1.6 74.0 1.1 87.0 1.5 116.0 2.3
400 MHz in CDCl3
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1H NMR 399.65 MHz C6 H12 O2 0.05 ml : 0.5 ml CDCl3 propioin 
Assign. Shift(ppm)
A 4.191 B *1 2.55 C *1 2.48 D *2 1.894 E *2 1.628 F 1.113 G 0.938
Hz ppm Int.1680.54 4.206 134 1676.39 4.195 138 1673.58 4.188 139 1669.43 4.178 131 1034.06 2.588 53 1033.69 2.587 53 1026.73 2.570 59 1023.19 2.561 67 1019.41 2.551 35 1016.11 2.543 174 1008.79 2.525 191 1002.69 2.509 166 1002.20 2.508 177 995.36 2.491 165 995.00 2.490 170 991.58 2.482 30 988.16 2.473 63 987.67 2.472 66 984.38 2.464 56 977.54 2.446 49 977.05 2.445 52 770.87 1.929 68 766.72 1.919 69 764.16 1.913 47 763.43 1.911 79 759.28 1.900 81 756.71 1.894 94 755.98 1.892 57 752.56 1.884 88 749.27 1.875 90 745.12 1.865 85 741.70 1.856 37 737.67 1.846 32 671.39 1.680 31 664.18 1.662 93 656.98 1.644 140 649.90 1.627 157 642.70 1.609 120 635.62 1.591 74 452.03 1.132 614 444.70 1.113 1000 437.38 1.095 556 381.96 0.956 548 374.63 0.938 913 367.07 0.919 473
in CDCl3
liquid film
4880 A,200 M,liquid
