4-METHYLNONANE(17301-94-9) MS
Product Name4-METHYLNONANE
CAS17301-94-9
Molecular FormulaC10H22
Molecular Weight142.28
InChIInChI=1S/C10H22/c1-4-6-7-9-10(3)8-5-2/h10H,4-9H2,1-3H3
InChIKey IALRSQMWHFKJJA-UHFFFAOYSA-N
SmilesCCCC(C)CCCCC
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MassMS-IW-2662 4-methylnonane C10H22 (Mass of molecular ion: 142)
Source Temperature: 220 °C Sample Temperature: 160 °C Reservoir, 75 eV
27.0 9.3 28.0 1.0 29.0 15.9 39.0 6.8 40.0 1.2 41.0 29.2 42.0 12.8 43.0 87.2 44.0 3.5 53.0 1.9 54.0 1.0 55.0 20.3 56.0 10.8 57.0 100.0 58.0 5.8 69.0 5.1 70.0 55.5 71.0 60.0 72.0 3.3 83.0 1.4 84.0 2.3 85.0 7.6 98.0 23.9 99.0 14.5 100.0 1.0 112.0 3.2 113.0 2.5 127.0 1.4 142.0 4.1
400 MHz in CDCl3
90 MHz in CDCl3
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1H NMR 399.65 MHz C10 H22 0.05 ml : 0.5 ml CDCl3 4-methylnonane 
Assign. Shift(ppm)
A 1.39 B 1.35 C 1.32 D 1.32 to 1.24 E 1.24 F 1.22 G 1.10 J 1.07 K 0.885 L 0.877 M 0.842 90MHZ : HSP-04-006
Hz ppm Int.570.31 1.428 30 568.73 1.424 31 563.96 1.412 48 561.40 1.405 57 557.98 1.397 75 556.88 1.394 69 556.40 1.393 69 554.08 1.387 84 552.73 1.384 76 551.39 1.380 92 550.05 1.377 76 548.58 1.373 80 546.51 1.368 80 545.78 1.366 78 543.82 1.361 87 541.14 1.355 95 538.33 1.348 110 536.38 1.343 105 533.94 1.337 104 531.86 1.331 151 531.25 1.330 154 529.54 1.326 139 524.54 1.313 208 523.93 1.311 214 521.85 1.306 244 518.43 1.298 313 516.48 1.293 291 515.26 1.290 345 512.21 1.282 279 509.52 1.275 343 506.84 1.269 504 502.93 1.259 370 500.37 1.253 318 498.66 1.248 272 496.58 1.243 296 491.33 1.230 237 487.67 1.221 131 487.06 1.219 133 484.01 1.212 81 481.81 1.206 72 479.49 1.200 37 476.81 1.194 35 448.73 1.123 44 447.75 1.121 47 445.19 1.114 64 443.73 1.111 48 440.55 1.103 84 438.11 1.097 139 435.18 1.089 115 432.74 1.083 110 430.54 1.078 109 427.37 1.070 116 425.17 1.064 85 423.10 1.059 59 422.36 1.057 58 419.80 1.051 49 418.09 1.047 38 416.75 1.043 34 415.28 1.040 35 360.60 0.903 493 357.67 0.895 444 353.88 0.886 829 350.59 0.878 773 348.27 0.872 235 346.56 0.868 490 343.38 0.860 415 339.72 0.851 1000 333.13 0.834 970
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1H NMR 89.56 MHz C10 H22 0.04 ml : 0.5 ml CDCl3 4-methylnonane Assign. Shift(ppm)
A 1.39 B *1 1.35 C *1 1.32 D *1 1.32 to 1.24 E *2 1.24 F *3 1.22 G *2 1.10 J *3 1.07 K 0.885 L 0.877 M 0.840 THE SHIFT VALUES WERE OBTAINED AT 400MHZ.
Hz ppm Int.133.63 1.493 34 133.25 1.488 34 131.69 1.471 35 130.88 1.462 38 129.94 1.451 42 119.50 1.335 244 112.38 1.255 847 99.69 1.114 94 97.81 1.093 99 95.00 1.061 83 92.38 1.032 63 91.88 1.026 63 91.38 1.021 63 91.00 1.017 62 90.50 1.011 64 89.50 1.000 70 84.56 0.945 326 78.50 0.877 1000 72.44 0.809 563
in CDCl3
liquid film
