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2-METHYL-5-NITRO-1,3-BENZOXAZOLE(32046-51-8) 1H NMR
Product Name2-METHYL-5-NITRO-1,3-BENZOXAZOLE
CAS32046-51-8
Molecular FormulaC8H6N2O3
Molecular Weight178.14
InChIInChI=1S/C8H6N2O3/c1-5-9-7-4-6(10(11)12)2-3-8(7)13-5/h2-4H,1H3
InChIKey UCZSXRHVXKAGFU-UHFFFAOYSA-N
SmilesO1C2=CC=C([N+]([O-])=O)C=C2N=C1C
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Parameter ppm Hz
D(A) 8.51 D(B) 8.27 D(C) 7.91 J(A,B) 2.30 J(A,C) 0.43 J(B,C) 8.92 D(D) 2.62 KATRITZKY,A.R. & TAKEUCHI,Y. ORG.MAGN.RESON. 2, 569 (1970)Spectral Code: 1H NMR : parameter in DMSO-d6
