N-HEPTADECANONITRILE(5399-02-0) IR1
Product NameN-HEPTADECANONITRILE
CAS5399-02-0
Molecular FormulaC17H33N
Molecular Weight251.45
InChIInChI=1S/C17H33N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18/h2-16H2,1H3
InChIKey ZXPWFWWSCFIFII-UHFFFAOYSA-N
SmilesC(#N)CCCCCCCCCCCCCCCC
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Assign. Shift(ppm)
A 2.32 B 1.65 C 1.26 D 0.88Spectral Code: 1H NMR : 90 MHz in CDCl3
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ppm Int. Assign.
119.70 71 1 32.00 190 2 29.75 1000 3 29.43 402 4 5 28.84 255 6 28.74 223 7 25.49 185 8 22.76 190 9 17.12 201 10 14.13 152 11Spectral 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