propyl 2-methylpentanoate(6639-14-1) IR1
Product Namepropyl 2-methylpentanoate
CAS6639-14-1
Molecular FormulaC9H18O2
Molecular Weight158.24
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MassMS-IW-3825 propyl 2-methylvalerate C9H18O2 (Mass of molecular ion: 158)
Source Temperature: 220 °C Sample Temperature: 150 °C Reservoir, 75 eV
26.0 1.2 27.0 19.2 28.0 5.5 29.0 15.1 30.0 1.0 31.0 4.8 39.0 12.1 40.0 2.3 41.0 37.4 42.0 18.6 43.0 96.8 44.0 4.6 45.0 4.9 53.0 2.0 55.0 15.8 56.0 9.1 57.0 5.7 58.0 1.0 59.0 7.3 60.0 1.0 69.0 5.7 70.0 6.3 71.0 96.1 72.0 6.0 73.0 9.3 74.0 98.2 75.0 18.1 86.0 1.1 87.0 27.5 88.0 2.3 89.0 2.5 99.0 88.4 100.0 6.1 101.0 5.6 115.0 1.9 116.0 49.8 117.0 100.0 118.0 6.9 129.0 5.8 130.0 1.1
400 MHz in CDCl3
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1H NMR 399.65 MHz C9 H18 O2 0.05 ml : 0.5 ml CDCl3 propyl 2-methylvalerate 
Assign. Shift(ppm)
A *1 4.035 B *1 4.029 C 2.444 D 1.65 E *2 1.65 F *2 1.39 G 1.32 J 1.142 K 0.947 L 0.907 ASSIGNED BY H-H COSY. J(A,B)=-10.8HZ J(A,D)=J(B,D)=6.6HZ
Hz ppm Int.1618.90 4.051 201 1617.80 4.049 219 1612.30 4.035 395 1611.21 4.032 434 1605.59 4.018 222 1604.49 4.015 238 1600.46 4.005 37 988.04 2.473 68 980.83 2.455 117 974.12 2.438 119 967.29 2.421 81 678.47 1.698 53 677.49 1.696 42 671.02 1.680 209 668.95 1.674 63 664.31 1.663 358 662.23 1.658 108 660.40 1.653 59 656.86 1.644 427 654.42 1.638 99 652.34 1.633 40 649.41 1.625 262 642.82 1.609 85 573.49 1.435 39 567.14 1.420 79 564.21 1.412 60 560.79 1.404 59 557.86 1.396 133 554.81 1.389 43 551.64 1.381 95 550.42 1.378 74 545.04 1.364 107 543.95 1.362 98 538.94 1.349 186 535.28 1.340 52 534.42 1.338 54 531.49 1.330 263 529.30 1.325 48 527.22 1.320 74 524.41 1.313 194 522.22 1.307 76 521.36 1.305 69 519.17 1.300 44 517.46 1.295 89 515.26 1.290 70 508.42 1.273 32 460.21 1.152 983 457.89 1.146 94 453.25 1.135 1000 385.99 0.966 549 382.93 0.959 67 378.54 0.948 967 375.49 0.940 119 371.09 0.929 536 369.51 0.925 522 365.36 0.915 78 362.43 0.907 845 357.91 0.896 97 355.10 0.889 410 350.59 0.878 39
in CDCl3
liquid film
