1,3-二甲基-2,4-二硝基苯
产品名称
1,3-二甲基-2,4-二硝基苯
CAS号603-02-1
分子式C8H8N2O4
分子量196.16
InChIInChI=1S/C8H8N2O4/c1-5-3-4-7(9(11)12)6(2)8(5)10(13)14/h3-4H,1-2H3
InChIKeyXUUSVHGZGPBZLS-UHFFFAOYSA-N
SmilesC1(C)=CC=C([N+]([O-])=O)C(C)=C1[N+]([O-])=O
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Assign. Shift(ppm)
A 7.94
B 7.33
C 2.456
D 2.387
Spectral Code: 1H NMR : 90 MHz in CDCl3
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ppm Int. Assign.
153.13 80 1
148.24 100 2
134.89 433 3
129.51 841 4
125.66 1000 5
125.34 373 6
17.60 433 7 *
14.25 438 8 *
Spectral Code: 13C NMR : in CDCl3
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Spectral Code: IR : KBr disc
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Spectral Code: Raman : 4880 A,200 M,powder
