4-BUTOXY-2-BUTANONE(30536-44-8) 13C NMR
Product Name4-BUTOXY-2-BUTANONE
CAS30536-44-8
Molecular FormulaC8H16O2
Molecular Weight144.21
InChIInChI=1S/C8H16O2/c1-3-4-6-10-7-5-8(2)9/h3-7H2,1-2H3
InChIKey RWPVTNWSHPSZRA-UHFFFAOYSA-N
SmilesCC(=O)CCOCCCC
-
MassMS-NW-1353 4-butoxy-2-butanone C8H16O2 (Mass of molecular ion: 144)
Source Temperature: 260 °C Sample Temperature: 180 °C Reservoir, 75 eV
15.0 5.0 18.0 2.5 26.0 1.1 27.0 8.7 28.0 4.5 29.0 13.4 31.0 4.1 39.0 3.9 41.0 15.1 42.0 3.0 43.0 100.0 44.0 3.1 45.0 2.1 55.0 6.7 56.0 8.3 57.0 19.0 58.0 3.4 59.0 1.1 61.0 2.1 70.0 4.1 71.0 26.9 72.0 24.5 73.0 7.8 87.0 11.1 88.0 1.3 89.0 5.2 99.0 1.4 101.0 3.4 129.0 2.4
90 MHz in CDCl3
-
1H NMR 89.56 MHz C8 H16 O2 0.04 ml : 0.5 ml CDCl3 4-butoxy-2-butanone 
Assign. Shift(ppm)
A 3.668 B 3.417 C 2.674 D 2.183 E 1.51 F 1.35 G 0.91 J(C,D)=0.3HZ
Hz ppm Int.335.31 3.744 121 334.94 3.740 118 330.31 3.689 39 328.63 3.670 314 322.69 3.604 166 312.63 3.491 83 311.00 3.473 31 306.25 3.420 259 299.94 3.350 112 245.38 2.740 128 239.13 2.671 221 232.81 2.600 97 195.50 2.183 1000 194.06 2.167 134 138.56 1.548 50 137.38 1.534 57 136.69 1.527 53 135.88 1.518 44 134.81 1.506 63 131.88 1.473 94 130.63 1.459 74 129.44 1.446 69 127.69 1.426 68 126.19 1.409 58 125.50 1.402 48 124.19 1.387 55 122.75 1.371 49 118.88 1.328 44 115.69 1.292 47 109.38 1.222 32 88.63 0.990 62 87.75 0.980 114 87.00 0.972 99 85.00 0.950 39 83.75 0.936 32 81.25 0.908 272 79.38 0.887 69 78.69 0.879 66 75.13 0.839 43 73.81 0.825 48
in CDCl3
CCl4 solution
liquid film
