4-[(Dimethylamino)methylidene]-2-[2-(methylthio)-3-pyridyl]-4,5-dihydro-1,3-oxazol-5-one

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Systematic / IUPAC Name: (4Z)-4-[(Dimethylamino)methylene]-2-[2-(methylsulfanyl)-3-pyridinyl]-1,3-oxazol-5(4H)-one

ID: Reference4014

Other Names: 5(4H)-Oxazolone, 4-[(dimethylamino)methylene]-2-[2-(methylthio)-3-pyridinyl]-, (4Z)-

Formula: C12H13N3O2S

Spectral Data

4-[(Dimethylamino)methylidene]-2-[2-(methylthio)-3-pyridyl]-4,5-dihydro-1,3-oxazol-5-one 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 3/1/2016 9:33:47 AM
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Identificators

InChI InChI=1S/C12H13N3O2S/c1-15(2)7-9-12(16)17-10(14-9)8-5-4-6-13-11(8)18-3/h4-7H,1-3H3/b9-7-
InChI Key BFFJBKGBTQTQGZ-CLFYSBASSA-N
Canonical SMILES CN(C)C=C1C(=O)OC(=N1)C2=C(N=CC=C2)SC
CAS
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Other Names 5(4H)-Oxazolone, 4-[(dimethylamino)methylene]-2-[2-(methylthio)-3-pyridinyl]-, (4Z)-

In Other Databases

PubChem 2801107
ChemSpider 2079820