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MassMS-IW-9000 hexyl isocyanate C7H13NO (Mass of molecular ion: 127)
Source Temperature: 210 °C Sample Temperature: 150 °C Reservoir, 75 eV
15.0 3.3 26.0 2.3 27.0 28.9 28.0 17.8 29.0 34.5 30.0 7.1 38.0 1.3 39.0 20.2 40.0 5.0 41.0 72.0 42.0 29.6 43.0 81.4 44.0 4.4 51.0 1.3 53.0 3.7 54.0 3.7 55.0 48.8 56.0 80.7 57.0 7.4 58.0 10.0 59.0 2.6 67.0 4.2 68.0 1.5 69.0 13.5 70.0 9.1 71.0 3.9 82.0 7.5 83.0 2.2 84.0 25.4 85.0 33.7 86.0 2.2 98.0 32.5 99.0 100.0 100.0 5.8 112.0 21.4 113.0 1.6 126.0 2.8
400 MHz in CDCl3
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1H NMR 399.65 MHz C7 H13 N O 0.05 ml : 0.5 ml CDCl3 hexyl isocyanate 
Assign. Shift(ppm)
A 3.285 B 1.607 C 1.38 D 1.32 E 0.901
Hz ppm Int.1319.82 3.303 534 1313.11 3.286 971 1306.40 3.269 559 657.23 1.645 72 650.39 1.628 215 643.68 1.611 270 635.50 1.591 248 628.91 1.574 118 566.65 1.418 69 564.33 1.413 30 559.81 1.401 143 558.11 1.397 140 552.98 1.384 178 551.88 1.381 181 550.54 1.378 161 548.22 1.372 124 547.12 1.369 129 544.68 1.363 176 543.70 1.361 182 540.65 1.353 132 537.96 1.347 159 536.99 1.344 154 534.67 1.338 190 533.08 1.334 163 528.32 1.322 327 527.34 1.320 317 525.63 1.316 516 522.83 1.309 353 522.09 1.307 385 521.00 1.304 339 518.55 1.298 283 515.26 1.290 217 511.60 1.281 123 509.52 1.275 79 507.93 1.271 68 506.35 1.267 53 505.74 1.266 56 504.27 1.262 38 503.42 1.260 42 367.31 0.920 393 360.47 0.902 1000 353.52 0.885 463
in CDCl3
liquid film
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