Isophthalamide(1740-57-4) IR1
Product NameIsophthalamide
CAS1740-57-4
Molecular FormulaC8H8N2O2
Molecular Weight164.16
InChIInChI=1S/C8H8N2O2/c9-7(11)5-2-1-3-6(4-5)8(10)12/h1-4H,(H2,9,11)(H2,10,12)
InChIKey QZUPTXGVPYNUIT-UHFFFAOYSA-N
SmilesC1(C(N)=O)=CC=CC(C(N)=O)=C1
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Assign. Shift(ppm)
A 8.429 B *1 8.12 C 8.041 D 7.570 E *1 7.54Spectral Code: 1H NMR : 400 MHz in DMSO-d6
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ppm Int. Assign.
167.61 946 1 134.41 1000 2 130.04 815 3 128.20 457 4 126.75 391 5Spectral Code: 13C NMR : in DMSO-d6
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Spectral Code: IR : KBr disc
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Spectral Code: Raman : 4880 A,200 M,powder
