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CAS Number: 447401-91-4
ethyl 1-ethyl-1H-pyrazole-4-carboxylate

Structure

ethyl 1-ethyl-1H-pyrazole-4-carboxylate
Name: ethyl 1-ethyl-1H-pyrazole-4-carboxylate
Synonyms:
General Information
Product Number: 447401914

CAS Registry Number 447401-91-4
Name:
1H-​Pyrazole-​4-​carboxylic acid, 1-​ethyl-​, ethyl ester
1-Ethyl-1H-pyrazole-4-carboxylic acid ethyl ester
Ethyl 1-ethyl-1H-pyrazole-4-carboxylate

 

Chemical Formula: C8H12N2O2
Exact Mass: 168.09
Molecular Weight: 168.19
m/z: 168.09 (100.0%), 169.09 (9.5%)

 

InChI:InChI=1S/C8H12N2O2/c1-3-10-6-7(5-9-10)8(11)12-4-2/h5-6H,3-4H2,1-2H3

InChI Key:XDGRKQJBBYAGQA-UHFFFAOYSA-N

Canonical SMILES:CCN1C=C(C=N1)C(=O)OCC

Specification

98%

References

PCT Int. Appl. (2014), WO 2014130582 A2 20140828.                                  

PCT Int. Appl. (2013), WO 2013174822 A1 20131128.

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