| CAS Number: 916791-97-4 ethyl 3-(tert-butyl)-1H-pyrazole-5-carboxylate |
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| 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
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Specification |
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98% |
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| References | ||||||
PCT Int. Appl. (2014), WO 2014076484 A1 20140522. PCT Int. Appl. (2014), WO 2014033446 A1 20140306. |
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