1,7-Octadiene(3710-30-3) 13C NMR
Product Name1,7-Octadiene
CAS3710-30-3
Molecular FormulaC8H14
Molecular Weight110.2
InChIInChI=1S/C8H14/c1-3-5-7-8-6-4-2/h3-4H,1-2,5-8H2
InChIKey XWJBRBSPAODJER-UHFFFAOYSA-N
SmilesC=CCCCCC=C
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MassMS-NW-2119 1,7-octadiene C8H14 (Mass of molecular ion: 110)
Source Temperature: 250 °C Sample Temperature: 170 °C Reservoir, 75 eV
18.0 1.4 26.0 1.3 27.0 16.2 28.0 1.9 29.0 11.8 38.0 1.5 39.0 29.5 40.0 5.4 41.0 100.0 42.0 6.6 43.0 3.1 50.0 1.2 51.0 2.6 52.0 1.2 53.0 12.9 54.0 77.1 55.0 22.4 56.0 5.4 65.0 2.2 66.0 3.5 67.0 71.1 68.0 33.3 69.0 14.2 77.0 1.3 79.0 3.1 80.0 1.8 81.0 31.1 82.0 42.9 83.0 2.9 95.0 9.7
90 MHz in CDCl3
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1H NMR 89.56 MHz C8 H14 0.04 ml : 0.5 ml CDCl3 1,7-octadiene 
Assign. Shift(ppm)
A 5.79 B 4.98 C 4.91 D 2.05 E 1.41
Hz ppm Int.541.13 6.043 128 534.63 5.970 256 531.19 5.932 152 528.13 5.897 137 524.75 5.860 341 524.06 5.852 257 521.19 5.820 49 518.25 5.787 228 517.44 5.778 426 514.00 5.740 246 510.88 5.705 218 507.56 5.668 503 501.06 5.595 265 457.75 5.112 204 456.31 5.096 420 455.38 5.085 474 454.81 5.079 382 453.94 5.069 760 452.50 5.053 403 450.25 5.028 57 448.50 5.008 368 447.31 4.995 683 446.19 4.983 537 445.00 4.969 387 443.88 4.957 207 442.44 4.941 53 440.56 4.920 139 438.69 4.899 414 437.44 4.885 779 436.75 4.877 769 436.25 4.872 617 435.38 4.862 495 433.88 4.845 128 196.50 2.195 60 195.25 2.181 108 194.06 2.167 150 192.69 2.152 159 191.25 2.136 172 188.75 2.108 347 187.50 2.094 469 186.25 2.080 440 182.00 2.033 423 180.88 2.020 487 176.63 1.973 207 175.19 1.957 207 174.31 1.947 185 171.13 1.911 68 169.69 1.895 54 139.63 1.560 72 138.50 1.547 54 134.75 1.505 110 132.25 1.477 456 128.75 1.438 475 127.81 1.428 446 125.19 1.398 1000 121.88 1.361 410 121.19 1.354 438 119.56 1.335 190 118.00 1.318 282 115.38 1.289 71 111.19 1.242 53
in CDCl3
CCl4 solution
liquid film
4880 A,200 M,liquid
