1,4-Diazido Benzene(2294-47-5) MS
Product Name1,4-Diazido Benzene
CAS2294-47-5
Molecular FormulaC6H4N6
Molecular Weight160.13616
InChIInChI=1S/C6H4N6/c7-11-9-5-1-2-6(4-3-5)10-12-8/h1-4H
InChIKey QNSQTJHTVQSWFR-UHFFFAOYSA-N
SmilesC1(N=[N+]=[N-])=CC=C(N=[N+]=[N-])C=C1
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MassMS2004-02549WA 1,4-diazidobenzene C6H4N6 (Mass of molecular ion: 160)
Source Temperature: 240 °C Sample Temperature: 150 °C Reservoir, 70 eV
14.0 1.6 25.0 1.9 26.0 50.1 27.0 3.7 28.0 66.0 37.0 11.7 38.0 10.2 38.5 1.2 39.0 5.3 40.0 1.6 49.0 2.6 50.0 12.1 51.0 39.8 52.0 68.0 53.0 100.0 54.0 4.3 61.0 3.6 62.0 5.0 63.0 6.1 64.0 15.2 65.0 1.2 74.0 1.5 75.0 2.4 76.0 8.9 77.0 42.4 78.0 52.0 79.0 6.7 80.0 1.5 103.0 26.0 104.0 42.6 105.0 3.8 106.0 1.9 108.0 3.4 132.0 14.5 133.0 1.1 160.0 42.6 161.0 3.8
400 MHz in CDCl3
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1H NMR 399.65 MHz C6H4N6 12 mg : 0.5 ml CDCl3 1,4-diazidobenzene 
Assign. Shift(ppm)
A 7.010
Hz ppm Int.2802.50 7.011 1000
in CDCl3
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Spectral Code: ESR : PHOTOLYSIS, IN AERATED 3-METHYLPENTANE, 77K