52075-14-6

(4S,5S)-(-)-4-甲氧基甲基-2-甲基-5-苯基-2-唑啉(52075-14-6)核磁图(¹HNMR)

产品名称:(4S,5S)-(-)-4-甲氧基甲基-2-甲基-5-苯基-2-唑啉

CAS:52075-14-6

分子式:C12H15NO2

分子量: 205.25

InChI:InChI=1S/C12H15NO2/c1-9-13-11(8-14-2)12(15-9)10-6-4-3-5-7-10/h3-7,11-12H,8H2,1-2H3/t11-,12-/m0/s1

InChIKey: AKFIXTAIQHJWAU-RYUDHWBXSA-N

Smiles:O1[C@@H](C2=CC=CC=C2)[C@H](COC)N=C1C

¹HNMR

¹³CNMR

IR1

Mass

MS-NW-5635          
(4S,5S)-(-)-4-methoxymethyl-2-methyl-5-phenyl-2-oxazoline
C12H15NO2           (Mass of molecular ion:    205)

   Source Temperature: 280 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      15.0      11.6
      18.0       1.2
      26.0       1.4
      27.0       9.9
      28.0       7.2
      29.0       5.9
      30.0       1.3
      31.0       1.6
      38.0       1.2
      39.0       6.0
      40.0       1.4
      41.0       4.8
      42.0      28.0
      43.0      46.5
      44.0       1.8
      45.0      33.6
      50.0       3.6
      51.0      10.0
      52.0       2.4
      53.0       1.0
      54.0       4.9
      55.0       3.3
      56.0       8.8
      57.0      57.3
      58.0       5.2
      59.0       1.6
      60.0      34.6
      61.0       1.0
      62.0       1.5
      63.0       5.1
      64.0       2.0
      65.0       6.0
      67.0       1.8
      68.0     100.0
      69.0      20.9
      70.0       6.1
      71.0       2.8
      74.0       5.8
      75.0       1.1
      76.0       1.4
      77.0      15.2
      78.0       3.2
      79.0       2.5
      83.0       1.4
      84.0      20.3
      85.0       8.8
      86.0       1.5
      89.0       7.5
      90.0       5.8
      91.0      66.8
      92.0       5.7
      97.0       1.2
      98.0       8.3
      99.0      46.7
     100.0       3.0
     102.0       1.1
     103.0       4.2
     104.0       7.8
     105.0       8.7
     106.0       1.3
     115.0       2.8
     116.0      23.5
     117.0       8.2
     118.0      11.2
     119.0      92.4
     120.0       8.7
     121.0       4.1
     130.0       7.3
     131.0       6.4
     132.0      10.8
     133.0       4.1
     134.0       1.0
     146.0      22.3
     147.0       3.0
     148.0       1.0
     159.0       6.8
     160.0      82.9
     161.0       9.7
     162.0       1.7
     163.0       4.1
     174.0       1.1
     175.0       4.9
     205.0       1.0

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₁₂ H₁₅ N O₂	0.04 ml : 0.5 ml CDCl₃
(4S,5S)-(-)-4-methoxymethyl-2-methyl-5-phenyl-2-oxazoline

    Assign.     Shift(ppm)

      A          7.36 to 7.28
      B             5.275
      C             4.10
      D     *1      3.59
      E     *1      3.51
      F             3.406
      G             2.092
     
     J(B,C) = 6.9 HZ.
     J(C,G) = 1.4 HZ.

     Hz     ppm     Int.

    659.31   7.362     48
    659.19   7.361     48
    658.69   7.355     45
    658.00   7.348     36
    656.00   7.325    459
    655.50   7.320    441
    652.69   7.288     53
    650.88   7.268     26
    650.13   7.260     30
    476.25   5.318     79
    469.38   5.241     90
    370.69   4.140     28
    363.81   4.063     26
    321.75   3.593    123
    320.06   3.574    118
    317.25   3.543    100
    314.00   3.507     94
    305.13   3.407   1000
    188.13   2.101    426
    186.75   2.086    423

in CDCl3

liquid film

(4S,5S)-(-)-4-甲氧基甲基-2-甲基-5-苯基-2-唑啉(52075-14-6)核磁图(1HNMR)

(4S,5S)-(-)-4-甲氧基甲基-2-甲基-5-苯基-2-唑啉(52075-14-6)核磁图(¹HNMR)