Product Name2-BENZOTHIAZOLAMINEPHOSPHATE

CAS

Molecular FormulaC7H9N2O4PS

Molecular Weight248.196121

InChIInChI=1S/C7H6N2S.H3O4P/c8-7-9-5-3-1-2-4-6(5)10-7;1-5(2,3)4/h1-4H,(H2,8,9);(H3,1,2,3,4)

InChIKey OIAYJRFYNFZYCY-UHFFFAOYSA-N

SmilesS1C2=CC=CC=C2N=C1N.P(O)(O)(O)=O

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¹HNMR

¹³CNMR

IR1

    Assign.     Shift(ppm)

      A            10.0
      B             7.654
      C             7.342
      D             7.221
      E             7.023

Spectral Code: 1H NMR : 400 MHz in DMSO-d6

       ppm   Int.  Assign.

      166.92   590      1
      151.36   590      2
      130.14   602      3
      125.58   764      4
      121.09   950      5 *
      121.00  1000      6 *
      117.27   720      7

Spectral Code: 13C NMR : in DMSO-d6

Spectral Code: IR : KBr disc

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