2-ETHYLHEXANOIC ANHYDRIDE(36765-89-6) MS
Product Name2-ETHYLHEXANOIC ANHYDRIDE
CAS36765-89-6
Molecular FormulaC16H30O3
Molecular Weight270.41
InChIInChI=1S/C16H30O3/c1-5-9-11-13(7-3)15(17)19-16(18)14(8-4)12-10-6-2/h13-14H,5-12H2,1-4H3
InChIKey TVPCUVQDVRZTAL-UHFFFAOYSA-N
SmilesC(CC)(CCCC)C(=O)OC(=O)C(CC)CCCC
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MassMS-IW-3827 2-ethylhexanoic anhydride C16H30O3 (Mass of molecular ion: 270)
Source Temperature: 220 °C Sample Temperature: 150 °C Reservoir, 75 eV
27.0 3.1 29.0 5.7 39.0 2.4 41.0 12.7 42.0 2.5 43.0 12.9 55.0 11.6 56.0 3.6 57.0 78.3 58.0 3.7 69.0 2.0 70.0 3.7 71.0 1.0 73.0 3.8 83.0 2.5 88.0 4.1 98.0 2.1 99.0 37.4 100.0 2.9 126.0 1.1 127.0 100.0 128.0 9.0
400 MHz in CDCl3
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1H NMR 399.65 MHz C16 H30 O3 0.05 ml : 0.5 ml CDCl3 2-ethylhexanoic anhydride 
Assign. Shift(ppm)
A 2.364 B *1 1.69 C *2 1.65 D *1 1.58 E *2 1.51 F 1.37 to 1.29 G 0.968 J 0.900 ASSIGNED BY H-H COSY.
Hz ppm Int.959.11 2.400 40 953.61 2.387 87 950.68 2.379 90 948.24 2.373 62 945.19 2.366 174 942.26 2.358 65 939.70 2.352 102 936.77 2.344 102 931.27 2.331 52 692.50 1.733 58 686.16 1.717 55 684.94 1.714 86 684.33 1.713 84 678.71 1.699 145 676.76 1.694 103 674.56 1.688 54 671.14 1.680 170 670.53 1.678 178 662.96 1.659 153 658.81 1.649 55 655.64 1.641 70 654.17 1.637 62 650.88 1.629 34 648.56 1.623 46 646.61 1.618 99 641.11 1.605 103 639.16 1.600 111 633.54 1.586 118 627.32 1.570 64 625.49 1.566 82 619.87 1.552 79 617.92 1.547 75 616.21 1.542 54 614.14 1.537 49 612.43 1.533 80 610.72 1.529 70 608.64 1.523 61 606.69 1.519 48 605.22 1.515 53 603.27 1.510 71 597.66 1.496 48 595.21 1.490 33 546.75 1.369 48 538.94 1.349 162 536.13 1.342 255 534.55 1.338 268 531.62 1.331 363 529.05 1.324 310 527.47 1.320 269 523.93 1.311 179 520.51 1.303 113 515.99 1.292 50 394.29 0.987 545 386.84 0.968 1000 379.39 0.950 529 368.77 0.923 69 366.94 0.919 244 365.36 0.915 150 362.67 0.908 205 361.57 0.905 223 359.99 0.901 627 357.67 0.895 254 354.49 0.888 175 352.78 0.883 242
in CDCl3
liquid film
