Product Name2-METHYLPENTYLVALERATE
Molecular FormulaC11H21O2-
Molecular Weight185.28324
InChIInChI=1S/C11H22O2/c1-4-6-9(3)8-10(7-5-2)11(12)13/h9-10H,4-8H2,1-3H3,(H,12,13)/p-1
InChIKey GZZCTLROESYLER-UHFFFAOYSA-M
SmilesC([O-])(=O)C(CC(C)CCC)CCC
-
MassMS-IW-3574 2-methylpentyl valerate C11H22O2 (Mass of molecular ion: 186)
Source Temperature: 210 °C Sample Temperature: 160 °C Reservoir, 75 eV
27.0 7.3 28.0 2.9 29.0 14.6 39.0 4.8 41.0 20.6 42.0 7.5 43.0 32.5 44.0 1.2 45.0 1.3 53.0 1.0 55.0 11.4 56.0 43.9 57.0 42.4 58.0 2.0 59.0 1.0 60.0 8.8 61.0 1.4 69.0 12.4 70.0 2.0 71.0 3.4 72.0 1.9 73.0 4.4 74.0 1.4 83.0 2.3 84.0 47.7 85.0 100.0 86.0 6.5 87.0 2.5 99.0 1.0 101.0 1.0 102.0 4.2 103.0 11.7 114.0 5.2 115.0 3.3 144.0 1.1
400 MHz in CDCl3
-
1H NMR 399.65 MHz C11 H22 O2 0.05 ml : 0.5 ml CDCl3 2-methylpentyl valerate 
Assign. Shift(ppm)
A *1 3.953 B *1 3.858 C 2.312 D 1.790 E 1.618 F 1.40 to 1.33 G *2 1.30 J *2 1.14 K 0.921 L 0.920 M 0.91 J(A,B)=-10.7HZ J(A,D)=5.9HZ J(B,D)=6.8HZ
Hz ppm Int.1589.36 3.977 127 1583.50 3.963 131 1578.61 3.950 207 1572.75 3.936 207 1549.68 3.878 208 1542.85 3.861 210 1538.94 3.851 129 1532.10 3.834 128 931.88 2.332 283 924.44 2.314 407 916.75 2.294 306 725.10 1.815 35 724.24 1.813 31 718.99 1.800 49 718.38 1.798 49 717.41 1.796 45 713.99 1.787 44 713.01 1.785 52 712.28 1.783 52 706.30 1.768 41 661.74 1.656 77 655.40 1.640 79 654.42 1.638 189 652.22 1.632 78 646.85 1.619 213 644.53 1.613 89 639.04 1.599 164 637.08 1.595 68 631.59 1.581 90 562.99 1.409 41 560.79 1.404 70 557.98 1.397 53 555.66 1.391 73 554.69 1.388 78 553.22 1.385 178 551.64 1.381 141 548.46 1.373 142 545.65 1.366 234 544.31 1.362 172 542.72 1.358 101 539.79 1.351 197 538.21 1.347 271 535.64 1.341 93 534.42 1.338 140 532.47 1.333 110 530.76 1.329 174 529.42 1.325 89 527.83 1.321 52 526.73 1.318 51 525.15 1.315 88 523.56 1.311 74 522.22 1.307 59 520.63 1.303 33 517.94 1.296 36 515.14 1.289 79 508.06 1.272 51 461.67 1.156 65 459.72 1.151 56 457.52 1.145 60 454.59 1.138 52 451.90 1.131 49 449.71 1.126 83 442.02 1.107 46 375.73 0.941 535 371.34 0.930 1000 368.41 0.922 986 364.50 0.913 915 360.47 0.902 722 353.27 0.884 253 347.17 0.869 34
in CDCl3
liquid film
