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Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology |
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| index | Species | CAS number | Name | Relative experimental enthalpy (kJ mol-1) | sketch |
|---|---|---|---|---|---|
| a | HCCCHO | 624679 | 2-propynal | ![]() |
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| b | C2H2CO | 2961800 | cyclopropenone | ![]() |
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| c | C3H2O | 61244937 | Propadienal | ![]() |