BETA-N-METHYLIONONE(127-43-5) 13C NMR
Product NameBETA-N-METHYLIONONE
CAS127-43-5
Molecular FormulaC14H22O
Molecular Weight206.32
InChIInChI=1S/C14H22O/c1-5-12(15)8-9-13-11(2)7-6-10-14(13,3)4/h8-9H,5-7,10H2,1-4H3
InChIKey LMWNGLDCJDIIBR-UHFFFAOYSA-N
SmilesC(C1C(C)(C)CCCC=1C)=CC(=O)CC
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Assign. Shift(ppm)
A 7.30 B 6.139 C 2.60 D 2.06 E 1.76 F 1.82 to 1.30 G 1.13 J 1.07Spectral Code: 1H NMR : 90 MHz in CDCl3
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ppm Int. Assign.
200.86 375 1 141.78 565 2 136.11 364 3 * 135.43 451 4 * 130.46 690 5 39.79 598 6 34.10 663 7 # 33.71 717 8 # 33.52 674 9 # 28.80 1000 10 11 21.69 543 12 18.96 505 13 8.32 543 14Spectral 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
