1,2,3,4-CYCLOPENTANETETRACARBOXYLIC ACID(3786-91-2) Raman
Product Name1,2,3,4-CYCLOPENTANETETRACARBOXYLIC ACID
CAS3786-91-2
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 
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
