Ethyl 2-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-1,3-thiazole-4-carboxylate

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Systematic / IUPAC Name: Ethyl 2-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-1,3-thiazole-4-carboxylate

ID: Reference6112

Other Names: 4-Thiazolecarboxylic acid, 2-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-, ethyl ester

Formula: C12H14BrN3O2S

Spectral Data

Ethyl 2-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-1,3-thiazole-4-carboxylate mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 1
No. of Spectra 119
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 11/28/2016 10:06:20 AM
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Identificators

InChI InChI=1S/C12H14BrN3O2S/c1-4-18-12(17)9-6-19-10(14-9)5-16-8(3)11(13)7(2)15-16/h6H,4-5H2,1-3H3
InChI Key GBDODZKSKIFBTC-UHFFFAOYSA-N
Canonical SMILES CCOC(=O)C1=CSC(=N1)CN2C(=C(C(=N2)C)Br)C
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Other Names 4-Thiazolecarboxylic acid, 2-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-, ethyl ester

In Other Databases

PubChem 2820322
ChemSpider 2098551