Isobutyroin(815-77-0) MS
Product NameIsobutyroin
CAS815-77-0
Molecular FormulaC8H16O2
Molecular Weight144.21
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MassMS-NW-8802 4-hydroxy-2,5-dimethyl-3-hexanone C8H16O2 (Mass of molecular ion: 144)
Source Temperature: 260 °C Sample Temperature: 120 °C Reservoir, 75 eV
27.0 9.8 28.0 2.1 29.0 5.6 31.0 5.0 39.0 5.5 41.0 15.7 42.0 2.9 43.0 61.6 44.0 2.3 45.0 7.3 55.0 40.9 56.0 3.5 57.0 5.5 69.0 4.7 70.0 1.9 71.0 21.9 72.0 22.1 73.0 100.0 74.0 4.5 83.0 1.2 84.0 1.2 85.0 1.1 87.0 8.5 88.0 1.3 102.0 4.1
400 MHz in CDCl3
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1H NMR 399.65 MHz C8 H16 O2 0.05 ml : 0.5 ml CDCl3 4-hydroxy-2,5-dimethyl-3-hexanone 
Assign. Shift(ppm)
A 4.252 B 2.844 C 2.177 D *1 1.191 E *1 1.139 F *1 1.125 G *1 1.115
Hz ppm Int.1700.81 4.256 332 1698.24 4.250 342 1151.12 2.881 48 1144.29 2.864 115 1137.33 2.846 146 1130.49 2.829 120 1123.66 2.812 51 885.25 2.216 31 882.69 2.209 34 878.42 2.198 73 875.85 2.192 74 871.58 2.181 100 869.02 2.175 100 864.75 2.164 79 862.18 2.158 76 857.91 2.147 38 855.35 2.141 33 479.74 1.201 738 477.29 1.195 58 472.78 1.183 728 467.41 1.170 52 461.30 1.155 141 459.23 1.150 892 453.13 1.134 871 452.03 1.132 1000 448.85 1.124 956 446.29 1.117 862 442.14 1.107 964
in CDCl3
liquid film
