
3,4,10-triazabicyclo[4.4.0]deca-1,3,5,7,9-pentaene
产品名称
3,4,10-triazabicyclo[4.4.0]deca-1,3,5,7,9-pentaene
CAS号253-73-6
分子式C7H5N3
分子量131.13
InChIInChI=1S/C7H5N3/c1-2-6-4-9-10-5-7(6)8-3-1/h1-5H
InChIKeyGIVUQTUKKWDKHE-UHFFFAOYSA-N
SmilesC1=NN=CC2=CC=CN=C12
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Parameter ppm Hz
D(A) 9.31
D(B) 7.88
D(C) 8.40
D(D) 9.63
D(E) 9.79
J(A,B) 4.5
J(A,C) 1.7
J(A,D) 0.0
J(A,E) 0.0
J(B,C) 8.5
J(B,D) 0.0
J(B,E) 0.0
J(C,D) 0.0
J(C,E) 0.75
J(D,E) 1.5
QUEGUINER,G. & PASTOUR,P. BULL.SOC.CHIM.FR. 1969, 2519
Spectral Code: 1H NMR : parameter in CDCl3