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Back ChemicalBook Home>CAS DataBase List>3786-91-2More Spectrum> 1,2,3,4-CYCLOPENTANETETRACARBOXYLIC ACID(3786-91-2) Raman

1,2,3,4-CYCLOPENTANETETRACARBOXYLIC ACID(3786-91-2) Raman

Molecular FormulaC9H10O8

Molecular Weight246.17

InChIInChI=1/C9H10O8/c10-6(11)2-1-3(7(12)13)5(9(16)17)4(2)8(14)15/h2-5H,1H2,(H,10,11)(H,12,13)(H,14,15)(H,16,17)/t2-,3+,4-,5+

InChIKey WOSVXXBNNCUXMT-VERZDPOYNA-N

Smiles[C@@H]1(C(O)=O)C[C@H](C(O)=O)[C@H](C(O)=O)[C@@H]1C(O)=O |&1:0,5,9,13,r|

400 MHz in DMSO-d6


  • 1H NMR 399.65 MHz
    C9 H10 O8 0.040 g : 0.5 ml DMSO-d6
    1,cis-2,cis-3,cis-4-cyclopentanetetracarboxylic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 12.1 B 3.329 C 2.963 D 2.406 E 2.030 J(C,D) = 12.0 Hz J(C,E) = 7.3 Hz J(D,E) = -12.6 Hz

         Hz     ppm     Int.
    

       4842.37  12.117    470
       1341.69   3.358    133
       1335.28   3.342    891
       1333.09   3.336    798
       1329.06   3.326    846
       1326.86   3.321   1000
       1320.63   3.305    202
       1317.70   3.298     61
       1196.81   2.995    231
       1195.89   2.993    204
       1194.79   2.990    226
       1193.15   2.986    158
       1189.67   2.977    401
       1189.30   2.976    401
       1188.20   2.974    388
       1187.29   2.971    410
       1185.64   2.967    417
       1183.26   2.961    472
       1180.69   2.955    391
       1179.41   2.952    429
       1177.94   2.948    441
       1177.21   2.946    443
       1171.90   2.933    258
       1169.70   2.927    263
       1166.59   2.920     61
        979.21   2.451    182
        967.67   2.422    419
        959.61   2.402     63
        955.40   2.391    432
        943.86   2.362    176
    

in D2O

in DMSO-d6





KBr disc



nujol mull



4880 A,200 M,powder



1,2,3,4-CYCLOPENTANETETRACARBOXYLIC ACID(3786-91-2) Raman Atlas of Related Products

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