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Back ChemicalBook Home>CAS DataBase List>62625-30-3More Spectrum> BCP(62625-30-3) IR1

BCP(62625-30-3) IR1

Product NameBCP

CAS62625-30-3

Molecular FormulaC21H17Br2NaO5S

Molecular Weight564.22

InChIInChI=1S/C21H16Br2O5S.Na/c1-11-7-13(9-16(22)20(11)24)19(14-8-12(2)21(25)17(23)10-14)15-5-3-4-6-18(15)29(26,27)28;/h3-10,24H,1-2H3,(H,26,27,28);/q;+1/p-1/b19-14+;

InChIKey KVSJYIXUWNOWBD-UGAWPWHASA-M

SmilesC(=C1/C=C(C(=O)C(C)=C/1)Br)(/C1=CC(=C(O)C(C)=C1)Br)\C1C=CC=CC=1S([O-])(=O)=O.[Na+]

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1HNMR

IR1

Raman 



  •     Assign.     Shift(ppm)
    
      A             7.928
      B     *1      7.475
      C     *1      7.42
      D             7.40
      E             7.12
      F             7.050
      G             2.079
    Spectral Code: 1H NMR : 400 MHz in DMSO-d6


  • Spectral Code: IR : KBr disc



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