TRANS-3,4-DIMETHYL-2-PENTENE(4914-92-5) 13C NMR
Product NameTRANS-3,4-DIMETHYL-2-PENTENE
CAS4914-92-5
Molecular FormulaC7H14
Molecular Weight98.19
InChIInChI=1S/C7H14/c1-5-7(4)6(2)3/h5-6H,1-4H3/b7-5+
InChIKey PPBWEVVDSRKEIK-FNORWQNLSA-N
SmilesC/C=C(\C)/C(C)C
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MassMS-NW-3498 (E)-3,4-dimethyl-2-pentene C7H14 (Mass of molecular ion: 98)
Source Temperature: 280 °C Sample Temperature: 180 °C Reservoir, 75 eV
15.0 2.1 26.0 1.3 27.0 14.7 28.0 1.6 29.0 9.6 38.0 1.5 39.0 18.7 40.0 2.8 41.0 41.6 42.0 3.8 43.0 16.1 50.0 2.3 51.0 4.0 52.0 1.6 53.0 8.7 54.0 2.8 55.0 93.3 56.0 9.2 57.0 1.5 63.0 1.0 65.0 2.2 67.0 9.0 68.0 1.4 69.0 11.9 70.0 4.5 71.0 1.1 77.0 1.2 79.0 1.5 81.0 3.3 82.0 1.8 83.0 100.0 84.0 6.3 98.0 37.7 99.0 3.0
90 MHz in CDCl3
400 MHz in CDCl3
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1H NMR 89.56 MHz C7 H14 0.04 ml : 0.5 ml CDCl3 (E)-3,4-dimethyl-2-pentene 
Assign. Shift(ppm)
A 5.214 B 2.213 C 1.56 D 0.979
Hz ppm Int.464.25 5.184 30 463.75 5.179 31 199.13 2.224 35 143.88 1.607 133 142.94 1.597 204 142.13 1.587 248 141.06 1.576 233 140.06 1.564 395 138.38 1.546 208 137.81 1.539 175 137.13 1.532 253 136.38 1.523 214 135.44 1.513 115 90.81 1.014 1000 84.06 0.939 825
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1H NMR 399.65 MHz C7 H14 0.05 ml : 0.5 ml CDCl3 (E)-3,4-dimethyl-2-pentene Assign. Shift(ppm)
A 5.222 B 2.221 C 1.56 D 0.978
Hz ppm Int.2090.21 5.231 35 2089.72 5.229 32 2088.62 5.227 33 2084.47 5.216 31 2083.01 5.213 35 2081.91 5.210 30 894.29 2.238 35 887.45 2.221 46 880.62 2.204 35 627.93 1.572 203 627.08 1.570 279 626.22 1.567 304 625.00 1.564 281 624.02 1.562 406 622.44 1.558 237 621.22 1.555 238 620.48 1.553 200 619.51 1.551 128 394.17 0.987 1000 387.33 0.970 893
in CDCl3
liquid film
