623-49-4

Ethyl cyanoformate(623-49-4) ¹³C NMR

Product NameEthyl cyanoformate

CAS 623-49-4

Molecular FormulaC4H5NO2

Molecular Weight99.09

InChIInChI=1S/C4H5NO2/c1-2-7-4(6)3-5/h2H2,1H3

InChIKey MSMGXWFHBSCQFB-UHFFFAOYSA-N

SmilesC(C#N)(OCC)=O

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Ethyl cyanoformate(623-49-4) <sup>13</sup>C NMR
Mass

MS-IW-4040          
ethyl cyanoformate
C4H5NO2             (Mass of molecular ion:     99)

   Source Temperature: 220 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      14.0       1.3
      15.0       4.2
      26.0       6.7
      27.0      21.4
      28.0      84.8
      29.0      75.1
      30.0       2.6
      41.0       1.1
      42.0       2.0
      43.0       8.8
      44.0       2.5
      45.0       8.2
      54.0     100.0
      55.0       4.7
      70.0       1.1
      72.0       6.5
      84.0      56.7
      85.0       2.1
      98.0       7.3

parameter in CDCl3

Ethyl cyanoformate(623-49-4) <sup>13</sup>C NMR

¹H NMR	300 MHz
C₄ H₅ N O₂	0.05 ml : 0.5 ml CDCl₃
ethyl cyanoformate

    Parameter     ppm  Hz

      D(A)         4.412
      D(B)         1.394
       J(A,B)          7.2

     Hz     ppm     Int.

   1334.45   4.448    163
   1327.26   4.424    494
   1320.04   4.400    502
   1312.86   4.376    171
    425.36   1.418    507
    418.20   1.394   1000
    410.99   1.370    491

in CDCl3