Ethyl 2-methylpentanoate(39255-32-8) MS
Product NameEthyl 2-methylpentanoate
CAS39255-32-8
Molecular FormulaC8H16O2
Molecular Weight144.21
InChIInChI=1S/C8H16O2/c1-4-6-7(3)8(9)10-5-2/h7H,4-6H2,1-3H3
InChIKey HZPKNSYIDSNZKW-UHFFFAOYSA-N
SmilesC(OCC)(=O)C(C)CCC
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MassMS-IW-3523 ethyl 2-methylvalerate C8H16O2 (Mass of molecular ion: 144)
Source Temperature: 210 °C Sample Temperature: 160 °C Reservoir, 75 eV
26.0 1.4 27.0 16.2 28.0 5.2 29.0 35.3 30.0 1.7 31.0 2.3 39.0 8.0 40.0 1.4 41.0 20.1 42.0 8.8 43.0 78.1 44.0 3.0 45.0 9.1 53.0 1.6 55.0 13.6 56.0 8.2 57.0 3.3 59.0 1.9 69.0 4.2 70.0 5.7 71.0 67.1 72.0 3.8 73.0 9.9 74.0 61.5 75.0 6.0 87.0 13.5 88.0 1.3 99.0 32.2 100.0 2.2 101.0 6.9 102.0 100.0 103.0 5.9 115.0 14.2 116.0 2.3 117.0 2.6 129.0 1.7
400 MHz in CDCl3
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1H NMR 399.65 MHz C8 H16 O2 0.05 ml : 0.5 ml CDCl3 ethyl 2-methylvalerate 
Assign. Shift(ppm)
A 4.127 B 2.428 C *1 1.644 D *1 1.39 E 1.33 F 1.254 G 1.137 J 0.907
Hz ppm Int.1660.64 4.156 115 1660.03 4.154 119 1653.56 4.138 339 1652.95 4.136 327 1646.36 4.120 346 1645.75 4.118 337 1639.16 4.102 122 1638.67 4.101 128 981.32 2.456 56 974.24 2.438 94 967.41 2.421 97 960.57 2.404 64 669.19 1.675 44 666.26 1.668 30 662.35 1.658 52 661.62 1.656 48 660.16 1.652 48 655.27 1.640 69 654.66 1.639 74 654.30 1.638 74 652.47 1.633 48 647.71 1.621 94 640.14 1.602 30 571.17 1.430 38 564.94 1.414 67 561.77 1.406 53 558.84 1.399 43 555.54 1.391 107 549.32 1.375 88 547.97 1.372 58 545.65 1.366 31 544.43 1.363 52 542.85 1.359 80 541.50 1.355 71 538.09 1.347 116 536.99 1.344 118 535.16 1.340 42 534.30 1.337 39 530.76 1.329 174 526.98 1.319 58 526.49 1.318 57 523.56 1.311 153 521.12 1.304 55 520.02 1.302 52 517.46 1.295 57 517.09 1.294 57 516.48 1.293 59 514.16 1.287 59 508.30 1.272 570 505.86 1.266 36 504.52 1.263 41 501.22 1.255 1000 497.44 1.245 33 494.14 1.237 548 457.89 1.146 850 455.44 1.140 59 450.93 1.129 829 369.38 0.925 374 362.18 0.907 673 358.03 0.896 48 357.06 0.894 56 354.86 0.888 300
in CDCl3
liquid film
