112-47-0

1,10-癸二醇(112-47-0)核磁圖(¹³CNMR)

產(chǎn)品名稱:1,10-癸二醇

CAS:112-47-0

分子式:C10H22O2

分子量: 174.28

InChI:InChI=1S/C10H22O2/c11-9-7-5-3-1-2-4-6-8-10-12/h11-12H,1-10H2

InChIKey: FOTKYAAJKYLFFN-UHFFFAOYSA-N

Smiles:C(O)CCCCCCCCCO

Mass

MS-NW-0343          
1,10-decanediol
C10H22O2            (Mass of molecular ion:    174)

   Source Temperature: 170 °C
   Sample Temperature: 120 °C
   Direct, 75 eV

      19.0       1.1
      27.0      13.7
      28.0       4.4
      29.0      22.4
      31.0      37.0
      39.0      11.3
      40.0       2.7
      41.0      73.7
      42.0      22.2
      43.0      33.2
      44.0       7.2
      45.0       5.7
      53.0       5.7
      54.0      45.8
      55.0     100.0
      56.0      29.3
      57.0      16.7
      58.0       2.5
      66.0       9.5
      67.0      67.9
      68.0      88.7
      69.0      50.4
      70.0      19.3
      71.0      13.6
      72.0       2.6
      73.0       3.9
      79.0       2.1
      80.0       2.1
      81.0      49.1
      82.0      79.8
      83.0      27.8
      84.0      10.1
      85.0       8.9
      86.0       2.0
      87.0       1.1
      94.0       1.6
      95.0      36.6
      96.0      38.6
      97.0      15.9
      98.0       7.4
      99.0       4.6
     100.0       1.0
     109.0      15.5
     110.0      19.7
     111.0       2.4
     112.0       1.1
     113.0       2.4
     123.0       1.1
     126.0       5.2
     138.0       1.8

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₁₀ H₂₂ O₂	0.039 g : 0.5 ml CDCl₃
1,10-decanediol

    Assign.     Shift(ppm)

      A             3.63
      B             1.57
      C             1.47
      D             1.31

     Hz     ppm     Int.

    331.69   3.704    174
    329.06   3.675     62
    325.38   3.634    497
    322.00   3.596     39
    319.13   3.564    250
    151.75   1.695     24
    150.81   1.684     27
    149.69   1.672     35
    149.06   1.665     38
    146.38   1.635     74
    145.63   1.627     75
    145.00   1.620     70
    144.44   1.613     72
    139.69   1.560    126
    136.38   1.523    101
    131.25   1.466    582
    127.00   1.419    158
    125.25   1.399    167
    124.44   1.390    173
    117.13   1.308   1000

in CDCl3