10226-28-5

5,6-二氫-3-乙氧羰基-2-甲基-4H-吡喃(10226-28-5)核磁圖(¹HNMR)

產(chǎn)品名稱:5,6-二氫-3-乙氧羰基-2-甲基-4H-吡喃

CAS:10226-28-5

分子式:C9H14O3

分子量: 170.21

InChI:InChI=1S/C9H14O3/c1-3-11-9(10)8-5-4-6-12-7(8)2/h3-6H2,1-2H3

InChIKey: BWVSWJMSYLYIJA-UHFFFAOYSA-N

Smiles:C1OC(C)=C(C(OCC)=O)CC1

¹HNMR

¹³CNMR

IR1

Mass

MS-IW-4180          
ethyl 6-methyl-3,4-dihydro-2H-pyran-5-carboxylate
C9H14O3             (Mass of molecular ion:    170)

   Source Temperature: 220 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      15.0       1.9
      18.0       1.1
      26.0       1.6
      27.0       9.0
      28.0       3.9
      29.0      13.2
      31.0       1.4
      39.0       6.6
      40.0       2.2
      41.0      10.7
      42.0       2.2
      43.0      82.1
      44.0       3.2
      45.0       3.0
      51.0       1.4
      52.0       1.4
      53.0       7.1
      54.0       6.6
      55.0      22.2
      56.0       2.4
      57.0       1.5
      58.0       1.0
      65.0       2.4
      66.0       2.1
      67.0       4.5
      68.0       2.8
      69.0       5.4
      70.0       2.2
      71.0       1.6
      72.0       1.3
      73.0       1.7
      77.0       1.6
      79.0       4.0
      81.0      12.3
      82.0       5.4
      83.0      12.8
      84.0       2.0
      85.0       2.6
      93.0       3.2
      95.0       4.8
      96.0      16.2
      97.0      73.3
      98.0      20.6
      99.0      16.2
     100.0       1.9
     101.0       1.2
     107.0       6.9
     109.0       5.8
     111.0       2.0
     113.0       3.3
     114.0       2.1
     122.0       1.8
     123.0      14.2
     124.0      14.4
     125.0      99.3
     126.0       9.3
     127.0       9.3
     128.0       1.2
     139.0       4.1
     140.0       5.8
     141.0     100.0
     142.0      13.3
     143.0       1.6
     155.0       2.9
     168.0       1.9
     169.0       1.2
     170.0      64.0
     171.0       7.3

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₉ H₁₄ O₃	0.05 ml : 0.5 ml CDCl₃
ethyl 6-methyl-3,4-dihydro-2H-pyran-5-carboxylate

    Assign.     Shift(ppm)

      A             4.154
      B             4.012
      C             2.303
      D             2.217
      E             1.829
      F             1.278

     Hz     ppm     Int.

   1670.65   4.181    217
   1663.57   4.163    565
   1656.37   4.145    555
   1649.29   4.127    205
   1608.64   4.026    279
   1603.52   4.013    314
   1598.27   4.000    269
    927.73   2.322    128
    926.39   2.319    136
    921.26   2.306    237
    919.92   2.302    247
    916.38   2.293     94
    914.79   2.289    135
    913.45   2.286    140
    887.45   2.221    678
    885.99   2.217    970
    884.40   2.213    572
    742.19   1.858    105
    736.94   1.844    144
    735.84   1.842    231
    731.57   1.831    201
    730.59   1.829    212
    729.37   1.826    200
    725.22   1.815    217
    718.75   1.799     85
    522.22   1.307     43
    517.82   1.296    601
    510.74   1.278   1000
    506.84   1.269     56
    503.54   1.260    560

in CDCl3