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3-Butoxypropionitrile(6959-71-3) IR1
Product Name3-Butoxypropionitrile
CAS6959-71-3
Molecular FormulaC7H13NO
Molecular Weight127.18
InChIInChI=1S/C7H13NO/c1-2-3-6-9-7-4-5-8/h2-4,6-7H2,1H3
InChIKey AWVNJBFNHGQUQU-UHFFFAOYSA-N
SmilesC(#N)CCOCCCC
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Assign. Shift(ppm)
A 3.614 B 3.47 C 2.571 D 1.55 E 1.37 F 0.91Spectral Code: 1H NMR : 90 MHz in CDCl3
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ppm Int. Assign.
118.14 323 1 71.15 910 2 65.35 881 3 31.64 990 4 19.27 1000 5 18.91 851 6 13.88 811 7Spectral Code: 13C NMR : in CDCl3
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Spectral Code: IR : liquid film
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Spectral Code: Raman : 4880 A,200 M,liquid
