3-(tert-Butyl)-5-(methylthio)-1H-pyrazole

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Systematic / IUPAC Name: 5-(2-Methyl-2-propanyl)-3-(methylsulfanyl)-1H-pyrazole

ID: Reference6432

Other Names: 5-(tert-Butyl)-3-(methylthio)-1H-pyrazole;
1H-Pyrazole, 5-(1,1-dimethylethyl)-3-(methylthio)-

Formula: C8H14N2S

Spectral Data

3-(tert-Butyl)-5-(methylthio)-1H-pyrazole 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 3/2/2017 2:12:14 PM
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Identificators

InChI InChI=1S/C8H14N2S/c1-8(2,3)6-5-7(11-4)10-9-6/h5H,1-4H3,(H,9,10)
InChI Key DXZIRUOMQMUUFL-UHFFFAOYSA-N
Canonical SMILES CC(C)(C)C1=CC(=NN1)SC
CAS
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Other Names 5-(tert-Butyl)-3-(methylthio)-1H-pyrazole;
1H-Pyrazole, 5-(1,1-dimethylethyl)-3-(methylthio)-

In Other Databases

ChemSpider 2084270
PubChem 2805744