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CAS Number: 916791-97-4
ethyl 3-(tert-butyl)-1H-pyrazole-5-carboxylate

Structure

ethyl 3-(tert-butyl)-1H-pyrazole-5-carboxylate
Name: ethyl 3-(tert-butyl)-1H-pyrazole-5-carboxylate
Synonyms:
General Information
Product Number: 916791974
CAS Registry Number: 916791-97-4
Name:
1H-​Pyrazole-​5-​carboxylic acid, 3-​(1,​1-​dimethylethyl)​-​, ethyl ester
5-​tert-​Butyl-​2H-​pyrazole-​3-​carboxylic acid ethyl ester; Ethyl 3-​tert-​butyl-​1H-​pyrazole-​5-​carboxylate 
 
Chemical Formula: C10H16N2O2
Exact Mass: 196.12
Molecular Weight: 196.25
m/z: 196.12 (100.0%), 197.12 (11.6%)
Elemental Analysis: C, 61.20; H, 8.22; N, 14.27; O, 16.31
 
InChI: InChI=1S/C10H16N2O2/c1-5-14-9(13)7-6-8(12-11-7)10(2,3)4/h6H,5H2,1-4H3,(H,11,12)
InChIKey: RCXMILPYEKVQLB-UHFFFAOYSA-N
Canonical SMILES : CCOC(=O)C1=NNC(=C1)C(C)(C)C

Specification

98%

References

PCT Int. Appl. (2014), WO 2014076484 A1 20140522.                                 

PCT Int. Appl. (2014), WO 2014033446 A1 20140306.

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