Hexanoic acid, 2-ethylbutyl ester(91933-26-5) MS
Product NameHexanoic acid, 2-ethylbutyl ester
CAS91933-26-5
Molecular FormulaC12H24O2
Molecular Weight200.32
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MassMS-IW-3519 2-ethylbutyl hexanoate C12H24O2 (Mass of molecular ion: 200)
Source Temperature: 210 °C Sample Temperature: 160 °C Reservoir, 75 eV
27.0 9.2 28.0 2.9 29.0 13.9 31.0 1.3 39.0 5.7 40.0 1.1 41.0 21.5 42.0 11.5 43.0 75.2 44.0 2.8 45.0 1.3 53.0 1.7 54.0 1.4 55.0 21.9 56.0 20.2 57.0 7.8 58.0 4.3 59.0 3.1 60.0 11.7 61.0 2.8 69.0 29.0 70.0 5.9 71.0 32.7 72.0 2.1 73.0 6.3 74.0 2.4 83.0 1.9 84.0 91.4 85.0 27.3 86.0 3.0 87.0 6.4 98.0 1.4 99.0 100.0 100.0 7.4 101.0 2.3 116.0 5.0 117.0 9.5 129.0 2.6 170.0 1.1
400 MHz in CDCl3
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1H NMR 399.65 MHz C12 H24 O2 0.05 ml : 0.5 ml CDCl3 2-ethylbutyl hexanoate 
Assign. Shift(ppm)
A 3.999 B 2.300 C 1.630 D 1.509 E 1.354 F 1.34 to 1.27 G 0.898
Hz ppm Int.1601.32 4.007 413 1595.46 3.993 409 926.76 2.319 192 919.43 2.301 304 911.74 2.282 208 666.87 1.669 34 659.30 1.650 89 654.54 1.638 47 651.73 1.631 115 649.17 1.625 56 647.34 1.620 42 644.41 1.613 81 636.96 1.594 34 610.47 1.528 53 604.37 1.513 77 597.90 1.497 63 591.67 1.481 38 557.86 1.396 112 550.29 1.377 309 542.97 1.359 343 536.38 1.343 317 533.94 1.337 109 530.76 1.329 142 529.05 1.324 231 528.08 1.322 261 524.78 1.314 188 520.75 1.304 156 518.55 1.298 112 514.65 1.288 68 512.45 1.283 46 511.47 1.280 52 509.64 1.276 41 506.23 1.267 38 365.84 0.916 669 358.40 0.897 1000 350.95 0.879 508
in CDCl3
liquid film
