DICHLOROISOPROTERENOL HYDROCHLORIDE(51-29-6) IR2

Product NameDICHLOROISOPROTERENOL HYDROCHLORIDE

CAS 51-29-6

Molecular FormulaC11H16Cl3NO

Molecular Weight284.61

InChIInChI=1S/C11H15Cl2NO.ClH/c1-7(2)14-6-11(15)8-3-4-9(12)10(13)5-8;/h3-5,7,11,14-15H,6H2,1-2H3;1H

InChIKey IIEMWZNXXFGMCU-UHFFFAOYSA-N

SmilesC1(=CC=C(Cl)C(Cl)=C1)C(O)CNC(C)C.Cl

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400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₁₁ H₁₅ Cl₂ N O	0.042 g : 0.5 ml DMSO-d₆
3,4-dichloro-alpha-((isopropylamino)methyl)benzyl alcohol hydrochloride

    Assign.     Shift(ppm)

      A     *1      9.4
      B     *1      8.8
      C             7.691
      D             7.658
      E             7.441
      F             6.45
      G             5.115
      J             3.342
      K     *2      3.130
      L     *2      3.004
      M     *3      1.293
      N     *3      1.267

     Hz     ppm     Int.

   3074.80   7.694    485
   3072.97   7.690    474
   3069.46   7.681     30
   3065.19   7.670    531
   3056.95   7.650    641
   2978.67   7.454    273
   2976.68   7.449    252
   2970.28   7.433    229
   2968.29   7.428    212
   2580.57   6.458    165
   2576.60   6.448    163
   2049.10   5.128    112
   2039.49   5.104    117
   1348.88   3.376     51
   1341.86   3.358    107
   1335.30   3.342    139
   1328.89   3.326    105
   1322.33   3.309     44
   1259.46   3.152     90
   1257.32   3.147     92
   1247.10   3.121    146
   1245.12   3.116    136
   1210.78   3.030    120
   1201.17   3.006    133
   1198.58   3.000    106
   1188.51   2.974     80
    520.17   1.302    959
    513.76   1.286    979
    509.64   1.276   1000
    503.08   1.259    949

in DMSO-d6

KBr disc

nujol mull

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