3-[4-(tert-Butyl)phenyl]-5-[(2-pyridylthio)methyl]-1,2,4-oxadiazole

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Systematic / IUPAC Name: 2-[({3-[4-(2-Methyl-2-propanyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)sulfanyl]pyridine

ID: Reference6103

Other Names: Pyridine, 2-[({3-[4-(1,1-dimethylethyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)thio]-

Formula: C18H19N3OS

Spectral Data

3-[4-(tert-Butyl)phenyl]-5-[(2-pyridylthio)methyl]-1,2,4-oxadiazole 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 6:40:28 AM
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Identificators

InChI InChI=1S/C18H19N3OS/c1-18(2,3)14-9-7-13(8-10-14)17-20-15(22-21-17)12-23-16-6-4-5-11-19-16/h4-11H,12H2,1-3H3
InChI Key WFHLJHXPPLMNFP-UHFFFAOYSA-N
Canonical SMILES CC(C)(C)C1=CC=C(C=C1)C2=NOC(=N2)CSC3=CC=CC=N3
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Other Names Pyridine, 2-[({3-[4-(1,1-dimethylethyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)thio]-

In Other Databases

ChemSpider 2008272
PubChem 2726203