1459-16-1

3a,4,9,9a-Tetrahydronaphtho[2,3-c]furan-1,3-dione(1459-16-1) MS

Product Name3a,4,9,9a-Tetrahydronaphtho[2,3-c]furan-1,3-dione

CAS 1459-16-1

Molecular FormulaC12H10O3

Molecular Weight202.21

InChIInChI=1S/C12H10O3/c13-11-9-5-7-3-1-2-4-8(7)6-10(9)12(14)15-11/h1-4,9-10H,5-6H2

InChIKey DRWNBWIQWWUIQM-UHFFFAOYSA-N

SmilesO1C(=O)C2CC3=C(CC2C1=O)C=CC=C3

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¹HNMR

¹³CNMR

3a,4,9,9a-Tetrahydronaphtho[2,3-c]furan-1,3-dione(1459-16-1) MS
Mass

MS-IW-9132          
cis-3a,4,9,9a-tetrahydronaphtho(2,3-c)furan-1,3-dione
C12H10O3            (Mass of molecular ion:    202)

   Source Temperature: 150 °C
   Sample Temperature: 120 °C
   Direct, 75 eV

      27.0       1.7
      28.0       2.7
      39.0       4.5
      50.0       3.4
      51.0      11.5
      52.0       1.8
      62.0       1.5
      63.0       6.2
      63.5       3.7
      64.0      16.5
      64.5       4.4
      65.0       6.7
      74.0       1.8
      75.0       2.1
      76.0       1.8
      77.0       5.2
      78.0       2.7
      89.0       1.5
     102.0       3.0
     103.0       2.0
     104.0       2.5
     115.0      13.9
     116.0       2.2
     126.0       1.3
     127.0       7.0
     128.0      19.7
     129.0     100.0
     130.0      27.7
     131.0       2.7
     146.0       1.1
     155.0       1.7
     156.0       2.0
     173.0       1.6
     174.0      34.3
     175.0       4.2
     202.0      31.8
     203.0       4.3

400 MHz in CDCl3

3a,4,9,9a-Tetrahydronaphtho[2,3-c]furan-1,3-dione(1459-16-1) MS

¹H NMR	399.65 MHz
C₁₂ H₁₀ O₃	0.033 g : 0.5 ml CDCl₃
cis-3a,4,9,9a-tetrahydronaphtho(2,3-c)furan-1,3-dione

    Assign.     Shift(ppm)

      A             7.215
      B             7.177
      C             3.550
      D     *1      3.148
      E     *1      2.938
     
     CONFIRMED BY LAOCN PROGRAM

     Hz     ppm     Int.

   2897.09   7.250    781
   2893.55   7.241     52
   2892.46   7.238     43
   2889.77   7.231    475
   2886.11   7.222    494
   2884.77   7.219    408
   2883.54   7.216    464
   2880.62   7.208   1000
   2876.71   7.199    284
   2875.00   7.194    234
   2871.34   7.185    706
   2868.77   7.179    303
   2867.19   7.175    435
   2866.09   7.172    415
   2862.30   7.163    298
   2859.01   7.154     48
   1431.88   3.583     44
   1424.19   3.564    259
   1422.85   3.561    345
   1422.00   3.559    512
   1421.02   3.556    448
   1419.56   3.553    552
   1418.82   3.551    574
   1417.36   3.547    435
   1416.26   3.544    548
   1415.53   3.542    418
   1414.18   3.539    303
   1410.64   3.530     34
   1409.42   3.527     39
   1408.94   3.526     39
   1406.49   3.520     67
   1268.31   3.174    384
   1267.21   3.171    337
   1266.48   3.169    347
   1265.26   3.166    375
   1253.30   3.136    534
   1252.32   3.134    495
   1251.71   3.133    476
   1250.49   3.129    546
   1183.23   2.961    336
   1180.91   2.955    250
   1179.44   2.952    290
   1176.64   2.945    320
   1168.58   2.925    256
   1166.02   2.918    216
   1161.87   2.908    232

in CDCl3

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