6975-85-5

4-甲氧基丁-2-酮(6975-85-5)红外图谱(IR1)

产品名称:4-甲氧基丁-2-酮

CAS:6975-85-5

分子式:C5H10O2

分子量: 102.13

InChI:InChI=1S/C5H10O2/c1-5(6)3-4-7-2/h3-4H2,1-2H3

InChIKey: DRWOJIIXBYNGGW-UHFFFAOYSA-N

Smiles:CC(=O)CCOC

¹HNMR

¹³CNMR

IR1

Mass

MS-IW-3561          
4-methoxy-2-butanone
C5H10O2             (Mass of molecular ion:    102)

   Source Temperature: 210 °C
   Sample Temperature: 160 °C
   Reservoir, 75 eV

      14.0       2.3
      15.0      20.6
      18.0       1.8
      26.0       3.6
      27.0      13.1
      28.0      12.8
      29.0      18.2
      30.0       1.2
      31.0      22.7
      32.0       2.7
      33.0       8.8
      38.0       1.1
      39.0       4.3
      41.0       6.3
      42.0      22.4
      43.0     100.0
      44.0       6.7
      45.0      94.5
      46.0       3.9
      53.0       1.2
      55.0      32.2
      56.0       1.4
      57.0       5.8
      58.0       3.0
      59.0      10.2
      60.0       3.7
      61.0       1.2
      69.0       1.2
      70.0      30.5
      71.0      29.7
      72.0      13.2
      73.0       1.2
      74.0       4.9
      75.0      25.1
      83.0       1.0
      85.0       1.9
      87.0      59.3
      88.0       3.0
     101.0       3.9
     102.0      36.1
     103.0       2.3

parameter in CDCl3

¹H NMR	300 MHz
C₅ H₁₀ O₂	0.05 ml : 0.5 ml CDCl₃
4-methoxy-2-butanone

    Parameter     ppm  Hz

      D(A)         3.640
      D(C)         2.686
      D(D)         2.184
       J(A,C)          6.0
       J(A,D)          0.0
       J(C,D)          0.4
     
      D(B)         3.332

     Hz     ppm     Int.

   1098.07   3.660    157
   1092.08   3.640    326
   1086.07   3.620    170
    999.60   3.332   1000
    811.74   2.706    116
    805.72   2.686    218
    799.74   2.666    106
    655.21   2.184    737

in CDCl3