1,3-Phenylenediacetonitrile(626-22-2) 13C NMR
Product Name1,3-Phenylenediacetonitrile
CAS626-22-2
Molecular FormulaC10H8N2
Molecular Weight156.18
InChIInChI=1S/C10H8N2/c11-6-4-9-2-1-3-10(8-9)5-7-12/h1-3,8H,4-5H2
InChIKey GRPFZJNUYXIVSL-UHFFFAOYSA-N
SmilesC1(CC#N)=CC=CC(CC#N)=C1
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MassMS-IW-0278 m-phenylenediacetonitrile C10H8N2 (Mass of molecular ion: 156)
Source Temperature: 240 °C Sample Temperature: 150 °C Reservoir, 75 eV
27.0 1.1 38.0 1.4 39.0 4.4 50.0 3.3 51.0 5.9 52.0 1.6 62.0 2.4 63.0 5.6 64.0 2.9 64.5 1.1 65.0 1.4 74.0 1.2 75.0 2.7 76.0 2.9 77.0 5.5 78.0 1.5 87.0 1.0 88.0 1.6 89.0 11.3 90.0 2.0 91.0 1.0 101.0 4.2 102.0 6.7 103.0 5.5 104.0 1.0 116.0 100.0 117.0 9.3 127.0 1.7 128.0 7.2 129.0 13.7 130.0 12.5 131.0 1.5 155.0 2.4 156.0 34.7 157.0 4.2 164.0 2.9 165.0 2.5 166.0 1.4 167.0 1.0
in CDCl3
KBr disc
nujol mull
