2,3-DIBROMO-6,7-DICYANONAPHTHALENE(74815-81-9) IR1
Product Name2,3-DIBROMO-6,7-DICYANONAPHTHALENE
CAS74815-81-9
Molecular FormulaC12H4Br2N2
Molecular Weight335.98
InChIInChI=1S/C12H4Br2N2/c13-11-3-7-1-9(5-15)10(6-16)2-8(7)4-12(11)14/h1-4H
InChIKey YHUVAAVMNCSZQN-UHFFFAOYSA-N
SmilesC1=C2C(C=C(Br)C(Br)=C2)=CC(C#N)=C1C#N
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MassMS-IW-5792 6,7-dibromo-2,3-naphthalenedicarbonitrile C12H4Br2N2 (Mass of molecular ion: 334)
Source Temperature: 170 °C Sample Temperature: 170 °C Direct, 75 eV
28.0 3.5 50.0 3.6 61.0 2.8 62.0 2.5 63.0 1.0 73.0 1.5 74.0 7.9 74.5 3.8 75.0 4.0 76.0 1.5 80.0 1.6 82.0 1.6 85.0 1.1 86.0 1.6 87.0 1.8 88.0 11.4 88.5 1.4 98.0 3.3 99.0 5.8 100.0 3.5 101.0 1.7 111.0 1.0 112.0 1.3 123.0 3.4 124.0 2.6 125.0 1.7 127.5 5.4 128.0 1.6 128.5 5.3 148.0 3.1 149.0 7.2 150.0 1.7 167.0 4.0 168.0 8.0 168.5 1.2 169.0 4.0 175.0 3.7 176.0 53.2 177.0 7.6 211.0 1.5 255.0 14.2 256.0 2.7 257.0 13.9 258.0 2.2 290.0 4.1 292.0 5.3 294.0 1.3 334.0 51.4 335.0 7.4 336.0 100.0 337.0 14.1 338.0 49.2 339.0 6.7
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C12 H4 Br2 N2 saturated in DMSO-d6 at 60 C 6,7-dibromo-2,3-naphthalenedicarbonitrile 
Assign. Shift(ppm)
A 8.742 B 8.617
Hz ppm Int.3494.02 8.743 1000 3491.94 8.738 441 3444.09 8.618 830 3441.65 8.612 401
in DMSO-d6 at 65C
KBr disc
nujol mull
