(beta-,4-dihydroxyphenethyl)methylammonium hydrogen [R-(R,R)]-tartrate (136-38-9) IR1

Product Name(beta-,4-dihydroxyphenethyl)methylammonium hydrogen [R-(R*,R*)]-tartrate

Molecular FormulaC13H19NO8

Molecular Weight317.29

InChIInChI=1/C9H13NO2.C4H6O6/c1-10-6-9(12)7-2-4-8(11)5-3-7;5-1(3(7)8)2(6)4(9)10/h2-5,9-12H,6H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)/t;1-,2-/s3

InChIKey GOVGCYCBKCCFIR-MVELKYERNA-N

Smiles[NH2+](CC(O)C1=CC=C(O)C=C1)C.[O-]C([C@@H]([C@H](C(O)=O)O)O)=O |&1:14,15,r|

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¹³CNMR

IR1

       ppm   Int.  Assign.

       179.29   417     1
       156.68   552     2
       132.15   761     3
       128.55   995     4
       116.57  1000     5
        74.79   447     6
        69.21   422     7
        55.39   303     8
        33.84   288     9

Spectral Code: 13C NMR : D2O

Spectral Code: IR : KBr disc

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(beta-,4-dihydroxyphenethyl)methylammonium hydrogen [R-(R*,R*)]-tartrate (136-38-9) IR1

(beta-,4-dihydroxyphenethyl)methylammonium hydrogen [R-(R,R)]-tartrate (136-38-9) IR1