3-(Dimethylamino)-1-[2-(methylthio)-5-nitrophenyl]prop-2-en-1-one

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Systematic / IUPAC Name: (2E)-3-(Dimethylamino)-1-[2-(methylsulfanyl)-5-nitrophenyl]-2-propen-1-one

ID: Reference5627

Other Names: 2-Propen-1-one, 3-(dimethylamino)-1-[2-(methylthio)-5-nitrophenyl]-, (2E)-

Formula: C12H14N2O3S

Spectral Data

3-(Dimethylamino)-1-[2-(methylthio)-5-nitrophenyl]prop-2-en-1-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 119
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 9/15/2016 9:16:36 AM
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Identificators

InChI InChI=1S/C12H14N2O3S/c1-13(2)7-6-11(15)10-8-9(14(16)17)4-5-12(10)18-3/h4-8H,1-3H3/b7-6+
InChI Key GTXWDKVITOKHAE-VOTSOKGWSA-N
Canonical SMILES
CAS
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Other Names 2-Propen-1-one, 3-(dimethylamino)-1-[2-(methylthio)-5-nitrophenyl]-, (2E)-

In Other Databases

ChemSpider 4652741
PubChem 5715586