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Back ChemicalBook Home>CAS DataBase List>130-89-2More Spectrum> Quinine hydrochloride(130-89-2) Raman

130-89-2

Quinine hydrochloride(130-89-2) Raman

Molecular FormulaC20H25ClN2O2

Molecular Weight360.88

InChIInChI=1/C20H24N2O2.ClH/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;1H/t13-,14-,19-,20+;/s3

InChIKey LBSFSRMTJJPTCW-QJLYHTAINA-N

SmilesC12C=C(C=CC=1N=CC=C2[C@@H](O)[C@]1([H])C[C@]2([H])CCN1C[C@@H]2C=C)OC.Cl |&1:10,12,15,21,r|

  • Quinine hydrochloride(130-89-2) Raman


        Assign.     Shift(ppm)
    A 8.640 B 7.66 C 7.651 D 6.935 E 6.853 F 6.39 G 6.36 J 5.527 K 5.00 L 5.00 M 4.55 N 3.641 O 3.445 P 3.300 Q 3.150 R 3.029 S 2.70 T 2.25 U 2.13 V 2.06 W 1.85 X 1.28 J(J,L)=10.3HZ J(J,K)=17.2HZ J(J,S)=6.7HZ J(O,R)=13.4HZ J(O,S)=10.7HZ J(O,M)=11.9HZ J(Q,T)=5.3HZ J(S,R)=5.1HZ J(U,X)=13.6HZ J(U,P)=7.7HZ ASSIGNED BY H-H COSY.
    Spectral Code: 1H NMR : 400 MHz in CDCl3

  • Quinine hydrochloride(130-89-2) Raman


           ppm   Int.  Assign.
    158.14 1000 1 146.86 425 2 144.30 950 3 143.48 681 4 137.37 794 5 131.08 419 6 125.27 750 7 122.19 438 8 118.81 419 9 117.20 450 10 99.78 394 11 66.02 425 12 60.19 450 13 57.00 538 14 54.75 294 15 44.14 300 16 37.18 463 17 26.95 400 18 24.32 306 19 18.16 288 20
    Spectral Code: 13C NMR : in CDCl3

  • Quinine hydrochloride(130-89-2) Raman

    Spectral Code: IR : KBr disc

  • Quinine hydrochloride(130-89-2) Raman

    Spectral Code: Raman : 4880 A,200 M,powder

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