2,5-Dichlorophenyl isocyanate(5392-82-5) IR1
Product Name2,5-Dichlorophenyl isocyanate
CAS5392-82-5
Molecular FormulaC7H3Cl2NO
Molecular Weight188.01
InChIInChI=1S/C7H3Cl2NO/c8-5-1-2-6(9)7(3-5)10-4-11/h1-3H
InChIKey PEQMJVGRHNZPAM-UHFFFAOYSA-N
SmilesC1(Cl)=CC=C(Cl)C=C1N=C=O
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Assign. Shift(ppm)
A 7.31 B 7.12 C 7.12Spectral Code: 1H NMR : 90 MHz in CDCl3
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ppm Int. Assign.
133.35 440 1 132.85 240 2 130.37 840 3 129.22 427 4 127.09 80 5 126.74 1000 6 125.29 947 7Spectral 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