3-Methoxybutyl acetate(4435-53-4) Raman

Product Name3-Methoxybutyl acetate

CAS 4435-53-4

Molecular FormulaC7H14O3

Molecular Weight146.18

InChIInChI=1S/C7H14O3/c1-6(9-3)4-5-10-7(2)8/h6H,4-5H2,1-3H3

InChIKey QMYGFTJCQFEDST-UHFFFAOYSA-N

SmilesC(OC(=O)C)CC(OC)C

Request For Quotation

Mass

MS-NW-4189          
3-methoxybutyl acetate
C7H14O3             (Mass of molecular ion:    146)

   Source Temperature: 230 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      15.0       5.9
      27.0       3.0
      28.0       1.3
      29.0       7.4
      31.0       7.3
      33.0       1.4
      39.0       1.9
      41.0       6.7
      42.0       2.0
      43.0      37.4
      44.0       1.0
      45.0       2.9
      55.0       8.5
      56.0       3.0
      57.0       1.1
      58.0       2.9
      59.0     100.0
      60.0       3.6
      61.0       2.1
      71.0      22.5
      72.0       2.3
      73.0       1.3
      85.0       2.2
      86.0       7.7
      87.0       1.1

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₇ H₁₄ O₃	0.04 ml : 0.5 ml CDCl₃
3-methoxybutyl acetate

    Assign.     Shift(ppm)

      A             4.154
      B             3.41
      C             3.315
      D             2.044
      E             1.78
      F             1.164
     
     TWO PROTONS OF (E) ARE NOT EQUIVALENT.

     Hz     ppm     Int.

    379.00   4.232     75
    372.44   4.159    127
    365.75   4.084     89
    308.88   3.449     35
    302.69   3.380     38
    296.88   3.315   1000
    183.06   2.044    765
    169.25   1.890     33
    168.00   1.876     32
    162.75   1.818     73
    161.06   1.799     55
    156.38   1.747     65
    155.38   1.735     55
    154.00   1.720     29
    149.88   1.674     24
    148.38   1.657     23
    107.31   1.199    372
    101.19   1.130    348

in CDCl3