NEOPENTYLBENZENE(1007-26-7) 13C NMR
Product NameNEOPENTYLBENZENE
CAS1007-26-7
Molecular FormulaC11H16
Molecular Weight148.24
InChIInChI=1S/C11H16/c1-11(2,3)9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3
InChIKey CJGXJKVMUHXVHL-UHFFFAOYSA-N
SmilesC1(CC(C)(C)C)=CC=CC=C1
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MassMS-NW-8587 neopentylbenzene C11H16 (Mass of molecular ion: 148)
Source Temperature: 260 °C Sample Temperature: 140 °C Reservoir, 75 eV
27.0 2.8 29.0 13.4 39.0 7.2 41.0 25.5 42.0 1.1 50.0 1.1 51.0 3.8 52.0 1.0 53.0 1.2 55.0 5.0 56.0 2.9 57.0 99.1 57.5 1.4 58.0 4.8 63.0 2.5 64.0 1.2 65.0 11.0 77.0 2.7 78.0 1.4 79.0 1.1 89.0 2.2 90.0 1.0 91.0 56.5 92.0 100.0 93.0 7.6 105.0 3.2 115.0 3.5 116.0 1.0 117.0 2.5 133.0 10.2 134.0 1.1 148.0 11.9 149.0 1.5
90 MHz in CDCl3
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1H NMR 89.56 MHz C11 H16 0.05 ml : 0.5 ml CDCl3 neopentylbenzene 
Assign. Shift(ppm)
A 7.22 to 7.15 B 2.480 C 0.896
Hz ppm Int.649.81 7.256 25 649.19 7.249 23 646.44 7.218 73 644.19 7.193 101 640.31 7.150 90 637.25 7.116 30 636.31 7.105 30 222.25 2.482 171 80.38 0.898 1000 75.25 0.841 25
in CDCl3
liquid film
