Anisonitrile(874-90-8) 1H NMR
Product NameAnisonitrile
CAS874-90-8
Molecular FormulaC8H7NO
Molecular Weight133.15
InChIInChI=1S/C8H7NO/c1-10-8-4-2-7(6-9)3-5-8/h2-5H,1H3
InChIKey XDJAAZYHCCRJOK-UHFFFAOYSA-N
SmilesC(#N)C1=CC=C(OC)C=C1
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MassMS-IW-5289 p-methoxybenzonitrile C8H7NO (Mass of molecular ion: 133)
Source Temperature: 220 °C Sample Temperature: 160 °C Reservoir, 75 eV
15.0 1.0 37.0 3.7 38.0 3.1 39.0 7.2 50.0 4.9 51.0 4.0 52.0 1.7 53.0 1.0 61.0 1.4 62.0 4.0 63.0 11.5 64.0 10.0 65.0 1.6 74.0 1.9 75.0 5.6 76.0 8.1 77.0 2.6 78.0 3.4 88.0 1.1 89.0 1.3 90.0 40.2 91.0 3.6 102.0 8.3 103.0 32.2 104.0 8.6 105.0 1.6 118.0 9.7 132.0 3.4 133.0 100.0 134.0 9.1
KBr disc
nujol mull
