Product Name2-METHYLPENTYLBUTYRATE
Molecular FormulaC10H19O2-
Molecular Weight171.25666
InChIInChI=1S/C10H20O2/c1-4-6-8(3)7-9(5-2)10(11)12/h8-9H,4-7H2,1-3H3,(H,11,12)/p-1
InChIKey UUFJSYYIHBBQAO-UHFFFAOYSA-M
SmilesC([O-])(=O)C(CC(C)CCC)CC
-
MassMS-IW-3569 2-methylpentyl butyrate C10H20O2 (Mass of molecular ion: 172)
Source Temperature: 210 °C Sample Temperature: 160 °C Reservoir, 75 eV
27.0 9.3 28.0 1.4 29.0 6.0 31.0 1.0 39.0 5.4 40.0 1.0 41.0 19.0 42.0 9.4 43.0 68.0 44.0 2.4 45.0 1.4 55.0 10.2 56.0 44.8 57.0 5.6 60.0 5.5 69.0 13.9 70.0 3.8 71.0 100.0 72.0 6.3 73.0 2.9 83.0 2.6 84.0 41.1 85.0 11.5 87.0 2.4 88.0 5.0 89.0 12.4 99.0 1.5 100.0 8.2 101.0 7.7 102.0 1.3 129.0 1.2
400 MHz in CDCl3
-
1H NMR 399.65 MHz C10 H20 O2 0.05 ml : 0.5 ml CDCl3 2-methylpentyl butyrate 
Assign. Shift(ppm)
A *1 3.958 B *1 3.863 C 2.293 D 1.79 E 1.663 F 1.37 G *2 1.30 J *2 1.14 K 0.955 L 0.921 M 0.903 J(A,B)=-10.7HZ J(A,D)=5.9HZ J(B,D)=6.8HZ
Hz ppm Int.1591.55 3.983 131 1585.69 3.968 135 1580.81 3.956 216 1574.95 3.941 217 1551.64 3.883 216 1544.80 3.866 217 1540.89 3.856 134 1534.06 3.839 135 923.95 2.312 325 919.80 2.302 35 916.63 2.294 553 914.43 2.289 58 909.18 2.275 354 725.83 1.817 36 724.85 1.814 33 719.60 1.801 49 719.12 1.800 49 718.14 1.797 45 714.72 1.789 45 713.75 1.786 53 712.89 1.784 52 707.03 1.770 42 706.18 1.767 33 683.35 1.710 52 675.90 1.692 213 670.41 1.678 35 668.46 1.673 352 664.43 1.663 33 663.09 1.660 35 661.01 1.654 338 653.56 1.636 205 646.24 1.618 57 563.23 1.410 39 561.52 1.406 36 558.23 1.397 47 556.40 1.393 56 555.05 1.389 39 551.88 1.381 109 550.66 1.378 76 548.83 1.374 111 547.36 1.370 95 544.43 1.363 101 543.09 1.359 78 540.28 1.352 119 538.70 1.348 82 535.89 1.341 66 534.79 1.339 132 532.71 1.333 75 531.01 1.329 49 529.54 1.326 54 528.08 1.322 42 527.22 1.320 42 525.39 1.315 82 523.80 1.311 32 522.46 1.308 51 518.07 1.297 34 515.38 1.290 83 508.30 1.272 51 466.31 1.167 31 461.91 1.156 62 460.21 1.152 57 457.89 1.146 61 454.96 1.139 53 452.27 1.132 52 450.20 1.127 87 442.50 1.108 49 396.85 0.993 39 389.16 0.974 597 385.99 0.966 33 381.84 0.956 1000 379.27 0.950 55 374.27 0.937 567 371.70 0.931 941 369.63 0.925 137 367.55 0.920 350 364.99 0.914 924 362.92 0.909 194 360.35 0.902 611 357.18 0.894 103 353.27 0.884 246
in CDCl3
liquid film
