2235-46-3

N,N-二乙基乙酰乙酰胺(2235-46-3)红外图谱(IR2)

产品名称:N,N-二乙基乙酰乙酰胺

CAS:2235-46-3

分子式:C8H15NO2

分子量: 157.21

InChI:InChI=1S/C8H15NO2/c1-4-9(5-2)8(11)6-7(3)10/h4-6H2,1-3H3

InChIKey: NTMXFHGYWJIAAE-UHFFFAOYSA-N

Smiles:C(N(CC)CC)(=O)CC(=O)C

Mass

MS-NW-4811          
N,N-diethylacetoacetamide
C8H15NO2            (Mass of molecular ion:    157)

   Source Temperature: 260 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      15.0       5.4
      18.0       2.0
      26.0       1.1
      27.0       7.4
      28.0       3.9
      29.0      12.7
      30.0      13.0
      39.0       1.2
      41.0       2.2
      42.0       7.4
      43.0      38.3
      44.0      22.7
      56.0      10.5
      57.0       1.3
      58.0     100.0
      59.0       3.9
      69.0       2.6
      70.0       1.8
      71.0       3.6
      72.0      32.6
      73.0       4.5
      74.0       1.2
      84.0       1.4
      85.0       9.2
      86.0       3.1
      87.0       1.4
     100.0       4.3
     114.0       7.6
     115.0       1.1
     140.0       3.4
     142.0       6.2
     157.0      15.3
     158.0       1.6

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₈ H₁₅ N O₂	0.05 ml : 0.5 ml CDCl₃
N,N-diethylacetoacetamide

    Assign.     Shift(ppm)

      A             3.517
      B     *1      3.397
      C     *1      3.296
      D             2.281
      E     *2      1.186
      F     *2      1.140

     Hz     ppm     Int.

   1406.13   3.519    640
   1368.65   3.425    114
   1361.57   3.407    315
   1354.37   3.389    319
   1347.29   3.372    119
   1328.13   3.324    117
   1320.92   3.306    324
   1313.84   3.288    328
   1306.64   3.270    122
    911.87   2.282   1000
    481.20   1.205    420
    474.00   1.187    734
    466.80   1.169    425
    463.01   1.159    433
    455.81   1.141    727
    448.73   1.123    402

in CDCl3