對叔丁基苯基1-(2,3-環(huán)氧)丙基醚(3101-60-8)質(zhì)譜(MS)

產(chǎn)品名稱:對叔丁基苯基1-(2,3-環(huán)氧)丙基醚

CAS:3101-60-8

分子式:C13H18O2

分子量: 206.28

InChI:InChI=1S/C13H18O2/c1-13(2,3)10-4-6-11(7-5-10)14-8-12-9-15-12/h4-7,12H,8-9H2,1-3H3

InChIKey: HHRACYLRBOUBKM-UHFFFAOYSA-N

Smiles:O1CC1COC1=CC=C(C(C)(C)C)C=C1

¹HNMR

¹³CNMR

IR1

Mass

MS2017-05423CM      
p-tert-butylphenyl 2,3-epoxypropyl ether
C13H18O2            (Mass of molecular ion:    206)

   Source Temperature: 250 °C
   Sample Temperature:  20 °C
   Direct, 70 eV

      27.0       2.0
      29.0       3.1
      31.0       2.8
      39.0       1.6
      41.0       4.0
      57.0       7.8
      65.0       1.5
      77.0       3.2
      78.0       1.0
      79.0       1.4
      91.0       5.4
      95.0       2.9
     105.0       2.0
     107.0       8.9
     115.0       1.3
     117.0       1.2
     119.0       1.7
     133.0       1.6
     134.0       1.1
     135.0      32.4
     136.0       3.2
     147.0       1.0
     161.0       1.6
     191.0     100.0
     192.0      13.0
     193.0       1.2
     206.0      23.7
     207.0       3.4

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₃ H₁₈ O₂	0.05 ml : 0.5 ml CDCl₃
p-tert-butylphenyl 2,3-epoxypropyl ether

    Assign.     Shift(ppm)

      A             7.287
      B             6.848
      C     *1      4.159
      D     *1      3.914
      E             3.303
      F             2.844
      G             2.703
      J             1.286
     
     J(C,D)=-11.0HZ
     J(C,E)=3.2HZ
     J(D,E)=5.7HZ
     J(E,G)=2.7HZ
     J(E,F)=4.3HZ
     J(F,G)=5.0HZ

     Hz     ppm     Int.

   2917.36   7.300    178
   2915.04   7.294     68
   2910.64   7.283     66
   2908.33   7.278    206
   2905.15   7.270     32
   2741.33   6.860    190
   2739.01   6.854     69
   2734.62   6.843     60
   2732.30   6.837    181
   2729.13   6.829     32
   1670.17   4.180     60
   1666.99   4.172     63
   1659.18   4.152     75
   1655.88   4.144     76
   1572.27   3.935     68
   1566.53   3.920     72
   1561.16   3.907     57
   1555.54   3.893     59
   1325.44   3.317     35
   1324.58   3.315     34
   1322.88   3.311     44
   1321.90   3.308     40
   1321.41   3.307     42
   1320.31   3.304     38
   1319.82   3.303     39
   1318.73   3.300     49
   1317.14   3.296     30
   1316.28   3.294     36
   1315.67   3.293     38
   1141.60   2.857     74
   1137.45   2.847     79
   1136.72   2.845    104
   1132.45   2.834     81
   1084.11   2.713     77
   1081.42   2.706     79
   1079.10   2.701     70
   1076.54   2.694     68
    518.68   1.298     81
    514.04   1.287   1000

in CDCl3