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Back ChemicalBook Home>CAS DataBase List>13291-61-7More Spectrum> 1,2-Cyclohexylenedinitrilotetraacetic acid(13291-61-7) IR1

13291-61-7

1,2-Cyclohexylenedinitrilotetraacetic acid(13291-61-7) IR1

Product Name1,2-Cyclohexylenedinitrilotetraacetic acid

CAS13291-61-7

Molecular FormulaC14H22N2O8

Molecular Weight346.33

InChIInChI=1/C14H22N2O8/c17-11(18)5-15(6-12(19)20)9-3-1-2-4-10(9)16(7-13(21)22)8-14(23)24/h9-10H,1-8H2,(H,17,18)(H,19,20)(H,21,22)(H,23,24)/t9-,10-/s3

InChIKey FCKYPQBAHLOOJQ-DPIMBTEZNA-N

Smiles[C@H]1(CCCC[C@H]1N(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O |&1:0,5,r|

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1HNMR

13CNMR

IR1

  • 1,2-Cyclohexylenedinitrilotetraacetic acid(13291-61-7) IR1


        Assign.     Shift(ppm)
    
      A     *1      3.605
      B     *1      3.505
      C             2.99
      D             2.02
      E             1.65
      F             1.19
    Spectral Code: 1H NMR : 400 MHz in DMSO-d6

  • 1,2-Cyclohexylenedinitrilotetraacetic acid(13291-61-7) IR1


           ppm   Int.  Assign.
    
      170.88  1000      1
       61.79   417      2
       52.03   291      3
       24.89   272      4
       24.12   293      5
    Spectral Code: 13C NMR : in DMSO-d6

  • 1,2-Cyclohexylenedinitrilotetraacetic acid(13291-61-7) IR1

    Spectral Code: IR : nujol mull

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