3-METHYLHEXYL ACETATE(50373-54-1) MS
Product Name3-METHYLHEXYL ACETATE
CAS50373-54-1
Molecular FormulaC9H18O2
Molecular Weight158.24
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MassMS-IW-9048 3-methylhexyl acetate C9H18O2 (Mass of molecular ion: 158)
Source Temperature: 200 °C Sample Temperature: 150 °C Reservoir, 75 eV
15.0 2.9 27.0 8.2 28.0 2.7 29.0 9.4 39.0 6.2 40.0 1.2 41.0 26.1 42.0 9.8 43.0 100.0 44.0 2.8 45.0 1.7 53.0 2.0 54.0 2.3 55.0 56.2 56.0 38.9 57.0 8.9 58.0 1.7 61.0 19.1 67.0 1.7 68.0 2.9 69.0 58.7 70.0 59.4 71.0 9.0 73.0 5.0 81.0 1.3 83.0 11.6 84.0 1.2 85.0 1.9 86.0 2.0 87.0 7.9 88.0 3.2 97.0 3.8 98.0 22.9 99.0 2.4 115.0 3.5
400 MHz in CDCl3
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1H NMR 399.65 MHz C9 H18 O2 0.05 ml : 0.5 ml CDCl3 3-methylhexyl acetate 
Assign. Shift(ppm)
A 4.10 B 2.038 C *1 1.651 D 1.543 E *1 1.432 F *2 1.30 G *2 1.150 K 0.899 L 0.888 ASSIGNED BY C-H COSY
Hz ppm Int.1647.34 4.122 88 1644.53 4.115 39 1642.82 4.111 101 1641.24 4.107 112 1639.89 4.104 114 1635.74 4.093 172 1633.79 4.089 106 1628.66 4.076 90 1624.88 4.066 40 814.58 2.039 1000 670.78 1.679 37 665.04 1.665 56 659.42 1.650 42 657.59 1.646 59 652.10 1.632 62 650.27 1.628 31 644.90 1.614 35 622.68 1.559 40 621.34 1.555 36 616.09 1.542 43 609.74 1.526 30 587.52 1.471 41 581.30 1.455 45 580.44 1.453 58 574.10 1.437 71 572.75 1.434 49 567.99 1.422 39 566.53 1.418 67 560.42 1.403 45 559.33 1.400 40 553.22 1.385 33 546.02 1.367 35 544.19 1.362 33 541.99 1.357 32 538.82 1.349 46 536.87 1.344 44 531.49 1.330 61 530.03 1.327 90 527.47 1.320 67 524.78 1.314 65 522.46 1.308 81 518.07 1.297 86 515.38 1.290 93 513.67 1.286 74 510.01 1.277 50 508.54 1.273 76 505.98 1.267 49 503.30 1.260 51 499.15 1.249 40 469.60 1.176 35 462.52 1.158 51 459.72 1.151 39 457.40 1.145 47 455.08 1.139 45 452.15 1.132 35 449.83 1.126 40 362.43 0.907 628 355.96 0.891 617 354.86 0.888 539 347.66 0.870 233
in CDCl3
liquid film
