57981-02-9

O-(2,3,4,5,6-PENTAFLUOROBENZYL)HYDROXYLAMINE HYDROCHLORIDE(57981-02-9) MS

Product NameO-(2,3,4,5,6-PENTAFLUOROBENZYL)HYDROXYLAMINE HYDROCHLORIDE

CAS 57981-02-9

Molecular FormulaC7H5ClF5NO

Molecular Weight249.57

InChIInChI=1S/C7H4F5NO.ClH/c8-3-2(1-14-13)4(9)6(11)7(12)5(3)10;/h1,13H2;1H

InChIKey HVMVKNXIMUCYJA-UHFFFAOYSA-N

SmilesC1(CON)C(F)=C(C(F)=C(F)C=1F)F.Cl

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¹HNMR

¹³CNMR

IR1

O-(2,3,4,5,6-PENTAFLUOROBENZYL)HYDROXYLAMINE HYDROCHLORIDE(57981-02-9) MS
Mass

MS-IW-1014          
O-(2,3,4,5,6-pentafluorobenzyl)hydroxylamine hydrochloride
C7H4F5NO HCl        (Mass of molecular ion:    213)

   Source Temperature: 130 °C
   Sample Temperature: 120 °C
   Direct, 75 eV

      31.0       1.4
      36.0       4.6
      38.0       1.6
      69.0       1.0
      81.0       1.0
      93.0       1.6
      99.0       1.8
     117.0       2.5
     119.0       1.1
     131.0       2.1
     150.0       1.1
     155.0       1.7
     161.0       5.5
     162.0       1.2
     167.0       2.6
     168.0       1.0
     181.0     100.0
     182.0       7.9
     195.0       3.7
     213.0       2.6

400 MHz in D2O

O-(2,3,4,5,6-PENTAFLUOROBENZYL)HYDROXYLAMINE HYDROCHLORIDE(57981-02-9) MS

¹H NMR	399.65 MHz
C₇ H₄ F₅ N O	0.033 g : 0.5 ml D₂O
O-(2,3,4,5,6-pentafluorobenzyl)hydroxylamine hydrochloride

    Assign.     Shift(ppm)

      A             5.259
     
     THE SOLVENT SIGNAL REMOVED.

     Hz     ppm     Int.

   2108.76   5.277     28
   2102.05   5.260   1000
   2094.60   5.242     23
   2094.24   5.241     23

in DMSO-d6

KBr disc

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