Methyl 5-(tert-butyl)-3-[(2-pyridylthio)methyl]thiophene-2-carboxylate

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Systematic / IUPAC Name: Methyl 5-(2-methyl-2-propanyl)-3-[(2-pyridinylsulfanyl)methyl]-2-thiophenecarboxylate

ID: Reference6393

Other Names: 2-Thiophenecarboxylic acid, 5-(1,1-dimethylethyl)-3-[(2-pyridinylthio)methyl]-, methyl ester

Formula: C16H19NO2S2

Spectral Data

Methyl 5-(tert-butyl)-3-[(2-pyridylthio)methyl]thiophene-2-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 117
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 2/28/2017 9:25:01 AM
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Identificators

InChI InChI=1S/C16H19NO2S2/c1-16(2,3)12-9-11(14(21-12)15(18)19-4)10-20-13-7-5-6-8-17-13/h5-9H,10H2,1-4H3
InChI Key MZSPMOPUMUZHQZ-UHFFFAOYSA-N
Canonical SMILES CC(C)(C)C1=CC(=C(S1)C(=O)OC)CSC2=CC=CC=N2
CAS
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Other Names 2-Thiophenecarboxylic acid, 5-(1,1-dimethylethyl)-3-[(2-pyridinylthio)methyl]-, methyl ester

In Other Databases

ChemSpider 2020705
PubChem 2739080