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

1,2-Cyclohexylenedinitrilotetraacetic acid(13291-61-7) 1H NMR

Molecular FormulaC14H22N2O8

Molecular Weight346.34

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|



  •     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



  •        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


  • Spectral Code: IR : nujol mull

1,2-Cyclohexylenedinitrilotetraacetic acid(13291-61-7) 1H NMR Atlas of Related Products

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