4884-68-8

HYDRASTININE HCL(RG)(4884-68-8) ¹³C NMR

Product NameHYDRASTININE HCL(RG)

CAS 4884-68-8

Molecular FormulaC11H13NO3.ClH

Molecular Weight243.689

InChIInChI=1S/C11H13NO3.ClH/c1-12-3-2-7-4-9-10(15-6-14-9)5-8(7)11(12)13;/h4-5,11,13H,2-3,6H2,1H3;1H

InChIKey DLNQCQJCIITVHC-UHFFFAOYSA-N

SmilesC12C(O)N(CCC1=CC1OCOC=1C=2)C.Cl

Request For Quotation

HYDRASTININE HCL(RG)(4884-68-8) <sup>13</sup>C NMR
Mass

MS-NW-6981          
6-methyl-5,6,7,8-tetrahydro-1,3-dioxolo(4,5-g)isoquinolin-5-ol hydrochloride
C11H13NO3 HCl       (Mass of molecular ion:    207)

   Source Temperature: 230 °C
   Sample Temperature: 180 °C
   Direct, 75 eV

      15.0       2.8
      18.0       2.5
      27.0       1.8
      28.0       1.5
      29.0       1.1
      35.0       3.7
      36.0      23.5
      37.0       1.3
      38.0       7.2
      39.0       5.9
      40.0       1.1
      41.0       2.3
      42.0      20.9
      43.0       1.1
      50.0       3.7
      51.0       6.0
      52.0       1.8
      53.0       1.6
      62.0       3.4
      63.0       6.6
      64.0       3.0
      65.0       5.1
      65.5       4.6
      66.0       1.5
      74.0       1.2
      75.0       1.4
      76.0       1.5
      77.0       5.8
      78.0       2.2
      79.0       1.2
      80.5       1.2
      86.0       1.0
      87.0       1.5
      87.5       1.0
      88.0       2.0
      89.0      12.5
      90.0       6.6
      91.0       7.7
      92.0       1.6
      93.5       3.4
      94.0       1.1
      94.5       7.7
      95.0       2.7
     102.0       1.6
     103.0       2.8
     104.0       1.0
     105.0       1.1
     115.0       2.3
     116.0       3.5
     117.0       3.2
     118.0       2.2
     119.0       1.9
     130.0       8.0
     131.0       4.5
     132.0       4.9
     133.0       1.0
     135.0       1.2
     146.0       1.0
     147.0      27.5
     148.0     100.0
     149.0      12.8
     150.0       1.2
     159.0       1.6
     160.0       3.9
     161.0       1.9
     162.0       4.9
     163.0       1.1
     172.0       4.2
     173.0       6.8
     174.0       2.3
     175.0       3.3
     176.0       2.8
     177.0       1.6
     188.0      55.2
     189.0      17.5
     190.0      83.3
     191.0      58.2
     192.0       7.2

400 MHz in DMSO-d6 at 50.C

HYDRASTININE HCL(RG)(4884-68-8) <sup>13</sup>C NMR

¹H NMR	399.65 MHz
C₁₁ H₁₂ Cl N O₃	0.041 g : 0.5 ml DMSO-d₆ at 50 C
6-methyl-7,8-dihydro-1,3-dioxolo(4,5-g)isoquinolin-5(6H)-one hydrochloride

    Assign.     Shift(ppm)

      A             9.41
      B             7.431
      C             7.144
      D             6.236
      E             3.985
      F             3.731
      G             3.163

     Hz     ppm     Int.

   3759.61   9.408    121
   2970.12   7.432    376
   2855.38   7.145    257
   2492.52   6.237   1000
   1601.41   4.008     92
   1593.17   3.987    174
   1584.63   3.966    106
   1491.24   3.732    606
   1275.02   3.191    123
   1266.78   3.170    211
   1258.24   3.149    116

D2O

in DMSO-d6