1-Ethylquinolinium iodide(634-35-5) MS
Product Name1-Ethylquinolinium iodide
CAS634-35-5
Molecular FormulaC11H12IN
Molecular Weight285.12
InChIInChI=1S/C11H12N.HI/c1-2-12-9-5-7-10-6-3-4-8-11(10)12;/h3-9H,2H2,1H3;1H/q+1;/p-1
InChIKey PMYUGMDDIBOXQM-UHFFFAOYSA-M
SmilesC12C=CC=CC1=CC=C[N+]=2CC.[I-]
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Assign. Shift(ppm)
A 9.602 B 9.309 C 8.646 D 8.518 E 8.303 F 8.213 G 8.075 J 5.130 K 1.631 Assigned with HMQC and HMBC.Spectral Code: 1H NMR : in DMSO-d6
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ppm Int. Assign.
149.26 378 1 147.15 832 2 137.15 228 3 135.55 896 4 130.66 952 5 129.77 967 6 129.57 675 7 122.21 930 8 118.74 1000 9 52.88 637 10 15.12 986 11 Assigned with HMQC and HMBC.Spectral Code: 13C NMR : in DMSO-d6
