Butyl lactate(138-22-7) 1H NMR
Product NameButyl lactate
CAS138-22-7
Molecular FormulaC7H14O3
Molecular Weight146.18
InChIInChI=1S/C7H14O3/c1-3-4-5-10-7(9)6(2)8/h6,8H,3-5H2,1-2H3
InChIKey MRABAEUHTLLEML-UHFFFAOYSA-N
SmilesC(OCCCC)(=O)C(O)C
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MassMS-NW-0098 butyl lactate C7H14O3 (Mass of molecular ion: 146)
Source Temperature: 240 °C Sample Temperature: 95 °C Reservoir, 75 eV
15.0 1.2 18.0 2.0 19.0 1.3 27.0 9.7 28.0 3.5 29.0 16.4 31.0 7.3 39.0 4.2 41.0 24.9 42.0 3.7 43.0 12.8 44.0 2.1 45.0 100.0 46.0 2.3 55.0 5.2 56.0 24.0 57.0 28.5 58.0 1.2 73.0 1.5 74.0 1.1 75.0 5.0 85.0 6.4 87.0 1.0 91.0 1.5 101.0 1.6 102.0 1.0
90 MHz in CDCl3
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1H NMR 89.56 MHz C7 H14 O3 0.04 ml : 0.5 ml CDCl3 butyl lactate 
Assign. Shift(ppm)
A 4.263 B 4.178 C 2.9 D 1.18 to 1.85 E 1.416 F 0.948
Hz ppm Int.385.75 4.308 101 381.25 4.257 123 378.94 4.232 117 374.88 4.186 308 372.00 4.154 49 368.56 4.116 195 155.13 1.733 50 148.38 1.657 100 146.50 1.636 64 142.63 1.593 95 142.13 1.587 100 141.50 1.580 102 139.75 1.561 45 138.81 1.550 55 136.00 1.519 85 134.69 1.504 89 130.13 1.453 1000 128.63 1.437 104 126.69 1.415 87 125.44 1.401 45 123.25 1.377 940 121.00 1.352 64 120.00 1.340 84 118.44 1.323 44 113.50 1.268 64 92.00 1.028 117 91.13 1.018 181 90.31 1.009 167 84.50 0.944 395 83.06 0.928 133 78.44 0.876 64 77.06 0.861 86 75.19 0.840 44
in CDCl3
liquid film
4880 A,200 M,liquid
