1-BUTOXY-2-PROPANOL(5131-66-8) MS
Product Name1-BUTOXY-2-PROPANOL
CAS5131-66-8
Molecular FormulaC7H16O2
Molecular Weight132.2
InChIInChI=1S/C7H16O2/c1-3-4-5-9-6-7(2)8/h7-8H,3-6H2,1-2H3
InChIKey RWNUSVWFHDHRCJ-UHFFFAOYSA-N
SmilesC(OCCCC)C(O)C
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MassMS-NW-4688 1-butoxy-2-propanol C7H16O2 (Mass of molecular ion: 132)
Source Temperature: 260 °C Sample Temperature: 170 °C Reservoir, 75 eV
15.0 3.0 18.0 1.5 19.0 1.4 26.0 1.3 27.0 10.8 28.0 3.4 29.0 28.3 31.0 15.9 39.0 6.4 40.0 1.2 41.0 35.8 42.0 4.5 43.0 7.9 44.0 4.1 45.0 100.0 46.0 2.4 55.0 5.9 56.0 32.0 57.0 89.8 58.0 5.7 59.0 21.1 60.0 1.0 61.0 4.0 73.0 3.0 75.0 4.0 86.0 4.4 87.0 30.8 88.0 3.6 89.0 3.2
90 MHz in CDCl3
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1H NMR 89.56 MHz C7 H16 O2 0.04 ml : 0.5 ml CDCl3 1-butoxy-2-propanol 
Assign. Shift(ppm)
A 3.95 B 3.46 C *1 3.404 D *1 3.225 E 2.56 F 1.82 to 1.21 G 1.141 J 0.93 J(A,C)=3.3HZ J(A,D)=8.0HZ J(C,D)=-9.5HZ
Hz ppm Int.363.13 4.055 39 359.81 4.018 44 356.75 3.984 43 355.19 3.966 57 353.44 3.947 47 351.88 3.929 57 348.81 3.895 57 345.50 3.858 58 317.69 3.548 77 316.88 3.539 91 312.19 3.486 157 311.19 3.475 233 310.56 3.468 221 308.88 3.449 121 304.63 3.402 148 302.75 3.381 261 299.44 3.344 213 295.06 3.295 250 287.06 3.206 192 285.56 3.189 95 277.63 3.100 79 229.13 2.559 201 147.88 1.652 42 147.38 1.646 40 145.88 1.629 35 145.19 1.622 32 141.88 1.585 75 140.88 1.574 78 139.44 1.557 73 137.81 1.539 80 135.38 1.512 120 134.31 1.500 98 133.69 1.493 91 132.38 1.479 96 131.81 1.472 96 131.00 1.463 83 128.75 1.438 80 126.81 1.416 77 125.06 1.397 66 121.44 1.356 68 120.00 1.340 40 118.31 1.322 70 116.06 1.296 32 115.06 1.285 33 112.13 1.253 53 110.44 1.234 31 105.25 1.176 1000 98.88 1.105 922 90.31 1.009 104 89.44 0.999 182 85.38 0.954 36 82.88 0.926 435 81.31 0.908 99 80.50 0.899 88 78.00 0.871 32 76.75 0.857 60 75.44 0.843 71 73.38 0.820 38
in CDCl3
CCl4 solution
liquid film
4880 A,100M,liquid
