3-(Butylphenylamino)propiononitrile(61852-40-2) IR1
Product Name3-(Butylphenylamino)propiononitrile
CAS61852-40-2
Molecular FormulaC13H18N2
Molecular Weight202.3
InChIInChI=1S/C13H18N2/c1-2-3-11-15(12-7-10-14)13-8-5-4-6-9-13/h4-6,8-9H,2-3,7,11-12H2,1H3
InChIKey KMGZOJSHGRNXOC-UHFFFAOYSA-N
SmilesC(#N)CCN(CCCC)C1=CC=CC=C1
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Assign. Shift(ppm)
A 7.23 B 6.72 C 6.66 D 3.640 E 3.32 F 2.55 G 1.56 J 1.35 K 0.96Spectral Code: 1H NMR : 90 MHz in CDCl3
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ppm Int. Assign.
146.72 333 1 129.54 1000 2 118.48 323 3 117.23 527 4 112.64 914 5 51.17 462 6 47.17 511 7 29.51 441 8 20.23 484 9 15.80 495 10 13.96 430 11Spectral Code: 13C NMR : in CDCl3
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Spectral Code: IR : liquid film
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Spectral Code: Raman : 4880 A,150M,liquid
