628-67-1

1,4-DIACETOXYBUTANE(628-67-1) IR1

Product Name1,4-DIACETOXYBUTANE

CAS 628-67-1

Molecular FormulaC8H14O4

Molecular Weight174.19

InChIInChI=1S/C8H14O4/c1-7(9)11-5-3-4-6-12-8(2)10/h3-6H2,1-2H3

InChIKey XUKSWKGOQKREON-UHFFFAOYSA-N

SmilesC(OC(=O)C)CCCOC(=O)C

Request For Quotation

1,4-DIACETOXYBUTANE(628-67-1) IR1
Mass

MS-KW-0489          
tetramethylene diacetate
C8H14O4             (Mass of molecular ion:    174)

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

      15.0       2.9
      27.0       1.5
      28.0       1.3
      29.0       1.4
      39.0       1.7
      41.0       3.0
      42.0      10.5
      43.0     100.0
      44.0       3.0
      45.0       1.0
      54.0      35.1
      55.0       6.5
      58.0       2.5
      60.0       1.0
      61.0      12.6
      71.0      17.7
      72.0       2.2
      73.0       9.2
      84.0       1.1
      86.0       3.4
      87.0       1.9
     101.0       2.7
     102.0       1.0
     103.0       1.9
     114.0       3.1

90 MHz in CDCl3

1,4-DIACETOXYBUTANE(628-67-1) IR1

¹H NMR	89.56 MHz
C₈ H₁₄ O₄	0.05 ml : 0.5 ml CDCl₃
tetramethylene diacetate

    Assign.     Shift(ppm)

      A             4.103
      B             2.051
      C             1.720

     Hz     ppm     Int.

    373.13   4.167     57
    371.88   4.153     53
    369.38   4.125     72
    366.81   4.096    151
    365.69   4.084     71
    364.63   4.072     64
    361.69   4.039     49
    360.69   4.028     50
    183.75   2.052   1000
    180.19   2.012     25
    159.69   1.784     61
    158.56   1.771     50
    156.31   1.746     81
    153.44   1.714    178
    150.75   1.684     71
    148.31   1.656     41
    147.19   1.644     47

in CDCl3