4-BROMOANTIPYRINE
Product Name
4-BROMOANTIPYRINE
CAS5426-65-3
MFC11H11BrN2O
MW267.12
InChIInChI=1S/C11H11BrN2O/c1-8-10(12)11(15)14(13(8)2)9-6-4-3-5-7-9/h3-7H,1-2H3
InChIKeyQYWWSDVPNCBSIA-UHFFFAOYSA-N
SmilesN1(C)C(C)=C(Br)C(=O)N1C1=CC=CC=C1
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Assign. Shift(ppm)
A 7.59 to 7.16
B 3.078
C 2.283
Spectral Code: 1H NMR : 90 MHz in CDCl3
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ppm Int. Assign.
162.11 144 1
154.03 318 2
134.84 264 3
129.18 1000 4
127.00 403 5
124.18 841 6
90.41 40 7
36.40 239 8
12.43 224 9
Spectral Code: 13C NMR : in CDCl3
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Spectral Code: IR : nujol mull
4-BROMOANTIPYRINE(5426-65-3)13CNMR Atlas of Related Products