23708-56-7

6-十一烷醇(23708-56-7)質(zhì)譜(MS)

產(chǎn)品名稱:6-十一烷醇

CAS:23708-56-7

分子式:C11H24O

分子量: 172.31

InChI:InChI=1S/C11H24O/c1-3-5-7-9-11(12)10-8-6-4-2/h11-12H,3-10H2,1-2H3

InChIKey: YBIXBBGRHOUVBB-UHFFFAOYSA-N

Smiles:CCCCCC(O)CCCCC

Mass

MS-NW-2587          
6-undecanol
C11H24O             (Mass of molecular ion:    172)

   Source Temperature: 260 °C
   Sample Temperature: 170 °C
   Reservoir, 75 eV

      27.0       5.1
      28.0       1.5
      29.0      10.2
      31.0       2.5
      39.0       2.8
      41.0      17.3
      42.0       2.6
      43.0      11.4
      44.0       4.4
      45.0       3.2
      55.0      60.5
      56.0       8.0
      57.0       6.9
      58.0       1.3
      59.0       2.0
      67.0       1.3
      69.0       4.1
      70.0       2.5
      71.0       1.6
      72.0       1.1
      82.0       3.0
      83.0     100.0
      84.0       7.7
      97.0       1.3
     100.0       2.9
     101.0      44.0
     102.0       3.0
     154.0       1.9

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₁ H₂₄ O	0.05 ml : 0.5 ml CDCl₃
6-undecanol

    Assign.     Shift(ppm)

      A             3.573
      B             1.87
      C             1.44
      D             1.38
      E             1.30
      F             1.29
      G             0.894

     Hz     ppm     Int.

   1432.25   3.584     67
   1430.79   3.581     58
   1427.86   3.573     71
   1424.93   3.566     68
   1422.61   3.560     44
   1422.36   3.560     44
   1422.12   3.559     44
   1421.75   3.558     44
   1420.53   3.555     52
    748.54   1.873    186
    589.48   1.475     56
    583.98   1.462    125
    580.20   1.452    142
    576.66   1.443    294
    573.49   1.435    306
    571.41   1.430    365
    568.48   1.423    226
    563.72   1.411    172
    555.42   1.390    132
    554.44   1.388    136
    546.51   1.368     82
    545.29   1.365     84
    541.99   1.357     87
    538.21   1.347    140
    532.96   1.334    236
    531.98   1.332    227
    527.22   1.320    343
    525.63   1.316    361
    523.07   1.309    448
    521.48   1.305    427
    520.51   1.303    434
    519.04   1.299    408
    516.36   1.293    449
    501.22   1.255     73
    364.01   0.911    458
    361.69   0.906    254
    357.06   0.894   1000
    350.10   0.877    481

in CDCl3