2-Phenyl-1-propene(98-83-9) MS
Product Name2-Phenyl-1-propene
CAS98-83-9
Molecular FormulaC9H10
Molecular Weight118.18
InChIInChI=1S/C9H10/c1-8(2)9-6-4-3-5-7-9/h3-7H,1H2,2H3
InChIKey XYLMUPLGERFSHI-UHFFFAOYSA-N
SmilesC1(C(C)=C)=CC=CC=C1
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MassMS-NW-2072 isopropenylbenzene C9H10 (Mass of molecular ion: 118)
Source Temperature: 250 °C Sample Temperature: 170 °C Reservoir, 75 eV
27.0 2.8 38.0 1.5 39.0 10.2 40.0 1.4 41.0 1.5 50.0 4.8 51.0 13.3 52.0 3.4 53.0 1.1 57.5 2.4 58.0 3.7 62.0 1.7 63.0 4.7 65.0 4.4 74.0 2.0 75.0 1.8 76.0 2.3 77.0 19.0 78.0 28.6 79.0 2.5 89.0 2.9 90.0 1.2 91.0 16.5 92.0 1.6 102.0 4.2 103.0 45.4 104.0 4.2 115.0 15.1 116.0 3.8 117.0 63.2 118.0 100.0 119.0 10.4
90 MHz in CDCl3
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1H NMR 89.56 MHz C9 H10 9.6 mol% in CDCl3 isopropenylbenzene 
Assign. Shift(ppm)
A 5.058 B 5.347 C 2.128 D 7.17 to 7.55 J(A,B)=1.6HZ J(A,C)=-1.6HZ J(B,C)=-0.8HZ
Hz ppm Int.672.44 7.509 112 671.25 7.495 71 669.94 7.481 80 668.56 7.465 141 667.44 7.453 192 666.13 7.438 76 664.81 7.424 209 663.94 7.414 293 662.44 7.397 301 662.00 7.392 378 659.50 7.364 106 658.50 7.353 120 658.00 7.348 108 657.56 7.343 254 656.31 7.329 149 655.44 7.319 127 654.44 7.308 440 653.63 7.299 491 653.19 7.294 281 651.75 7.278 302 649.63 7.254 163 649.19 7.249 229 648.56 7.242 449 647.81 7.234 146 646.50 7.219 493 645.00 7.202 75 644.44 7.196 68 643.50 7.186 54 642.81 7.178 49 481.00 5.371 80 480.19 5.362 224 479.38 5.353 302 478.56 5.344 325 477.75 5.335 265 476.94 5.326 102 456.06 5.093 59 454.56 5.076 215 453.00 5.059 316 451.50 5.042 216 449.94 5.024 64 191.63 2.140 913 190.81 2.131 1000 190.13 2.123 970 189.31 2.114 915
in CDCl3
CCl4 solution
liquid film
4880 A,200 M,liquid
