Ethyl 3-amino-4,4,4-trifluorocrotonate(372-29-2) ¹³C NMR

Product NameEthyl 3-amino-4,4,4-trifluorocrotonate

CAS 372-29-2

Molecular FormulaC6H8F3NO2

Molecular Weight183.13

InChIInChI=1S/C6H8F3NO2/c1-2-12-5(11)3-4(10)6(7,8)9/h3H,2,10H2,1H3

InChIKey NXVKRKUGIINGHD-UHFFFAOYSA-N

SmilesC(OCC)(=O)C=C(N)C(F)(F)F

Request For Quotation

¹HNMR

¹³CNMR

IR1

Mass

MS-KW-0223          
ethyl 3-amino-4,4,4-trifluorocrotonate
C6H8F3NO2           (Mass of molecular ion:    183)

   Source Temperature: 240 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      15.0       1.7
      17.0       2.9
      18.0       1.1
      20.0       1.1
      26.0       2.0
      27.0       8.6
      28.0       7.7
      29.0      14.8
      31.0       3.9
      39.0       1.3
      40.0       4.9
      41.0       7.5
      42.0       3.7
      43.0      11.7
      44.0       3.8
      45.0       4.0
      46.0       3.4
      47.0       1.1
      51.0       1.0
      60.0       2.0
      67.0       1.2
      68.0      30.9
      69.0       7.3
      70.0       1.9
      86.0       2.3
      88.0       2.9
      90.0       6.3
      91.0       8.8
      96.0      11.9
     111.0      38.6
     112.0       2.1
     116.0       1.5
     119.0       1.2
     136.0       5.4
     137.0      18.1
     138.0     100.0
     139.0      13.3
     155.0      13.3
     183.0      25.2
     184.0       2.2

400 MHz in CDCl3