3-ETHYL-3-METHYLHEPTANE(17302-01-1) 1H NMR
Product Name3-ETHYL-3-METHYLHEPTANE
CAS17302-01-1
Molecular FormulaC10H22
Molecular Weight142.28
InChIInChI=1S/C10H22/c1-5-8-9-10(4,6-2)7-3/h5-9H2,1-4H3
InChIKey HSOMNBKXPGCNBH-UHFFFAOYSA-N
SmilesCCC(CC)(C)CCCC
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MassMS-NW-8698 3-ethyl-3-methylheptane C10H22 (Mass of molecular ion: 142)
Source Temperature: 260 °C Sample Temperature: 150 °C Reservoir, 75 eV
27.0 8.2 28.0 1.3 29.0 15.7 39.0 5.6 41.0 27.2 42.0 2.9 43.0 96.5 44.0 3.2 53.0 2.2 55.0 13.6 56.0 3.1 57.0 100.0 58.0 4.4 69.0 7.5 70.0 7.0 71.0 78.9 72.0 4.3 83.0 2.8 84.0 15.2 85.0 57.3 86.0 3.8 112.0 7.1 113.0 24.5 114.0 2.1 127.0 1.6
400 MHz in CDCl3
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1H NMR 399.65 MHz C10 H22 0.04 ml : 0.5 ml CDCl3 3-ethyl-3-methylheptane 
Assign. Shift(ppm)
A 1.27 B 1.197 C 1.14 D 0.898 E 0.758 F 0.754
Hz ppm Int.513.92 1.286 35 509.89 1.276 64 506.59 1.268 51 505.74 1.266 48 503.17 1.260 67 502.69 1.258 68 501.71 1.256 42 499.63 1.251 38 497.31 1.245 34 495.97 1.242 50 490.11 1.227 141 482.42 1.208 427 474.85 1.189 474 467.53 1.170 196 463.87 1.161 45 462.40 1.158 69 460.82 1.154 87 457.28 1.145 212 455.81 1.141 323 452.39 1.132 272 365.97 0.916 283 358.89 0.899 521 351.44 0.880 241 310.67 0.778 533 303.22 0.759 1000 301.27 0.754 883 295.53 0.740 406
in CDCl3
liquid film
4880 A,200 M,liquid
