Rotenone(83-79-4) IR2
Molecular FormulaC23H22O6
Molecular Weight394.42
InChIInChI=1S/C23H22O6/c1-11(2)16-8-14-15(28-16)6-5-12-22(24)21-13-7-18(25-3)19(26-4)9-17(13)27-10-20(21)29-23(12)14/h5-7,9,16,20-21H,1,8,10H2,2-4H3/t16-,20-,21+/m1/s1
InChIKey JUVIOZPCNVVQFO-HBGVWJBISA-N
Smiles[C@@]12([H])COC3=CC(OC)=C(OC)C=C3[C@]1([H])C(=O)C1C=CC3O[C@@H](C(C)=C)CC=3C=1O2
400 MHz in CDCl3
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1H NMR 399.65 MHz C23 H22 O6 0.051 g : 0.5 ml CDCl3 rotenone 
Assign. Shift(ppm)
A 7.837 B 6.773 C 6.502 D 6.449 E 5.232 F 5.07 G 4.93 J *1 4.606 K *1 4.178 L 3.837 M *2 3.804 N *2 3.766 P *3 3.314 Q *3 2.955 R 1.764
Hz ppm Int.3136.47 7.849 141 3127.93 7.827 145 2707.52 6.775 200 2706.67 6.773 196 2602.91 6.513 181 2594.36 6.492 175 2577.51 6.450 327 2100.22 5.256 46 2091.31 5.233 71 2082.15 5.210 45 2026.98 5.072 128 1972.78 4.937 152 1970.83 4.932 184 1969.85 4.929 174 1966.80 4.922 68 1965.70 4.919 53 1848.88 4.627 77 1845.70 4.619 74 1836.79 4.596 91 1833.74 4.589 84 1675.42 4.193 97 1663.33 4.162 87 1535.77 3.843 120 1531.74 3.833 118 1520.39 3.805 971 1505.37 3.767 1000 1338.01 3.348 49 1328.25 3.324 52 1322.27 3.309 62 1312.50 3.285 57 1192.14 2.983 59 1183.96 2.963 59 1176.27 2.944 48 1168.21 2.924 47 705.32 1.765 477
KBr disc
nujol mull
