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Product NameN-Acetylcaprolactam
CAS1888-91-1
Molecular FormulaC8H13NO2
Molecular Weight155.19
InChIInChI=1S/C8H13NO2/c1-7(10)9-6-4-2-3-5-8(9)11/h2-6H2,1H3
InChIKey QISSLHPKTCLLDL-UHFFFAOYSA-N
SmilesN1(C(C)=O)CCCCCC1=O
1HNMR
IR1
IR2
Raman
90 MHz in CDCl3
Assign. Shift(ppm) A 3.90 B 2.73 C 2.493 D 2.04 to 1.49
Hz ppm Int.
354.00 3.953 51 348.38 3.890 49 347.75 3.883 50 347.25 3.878 47 346.25 3.867 44 345.00 3.853 44 344.63 3.849 43 244.31 2.728 42 239.25 2.672 48 223.31 2.494 1000 162.56 1.816 47 161.69 1.806 50 155.50 1.737 204 154.13 1.721 153 149.63 1.671 42 149.31 1.668 42
CCl4 solution
liquid film
4880 A,200 M,liquid
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