2-Cyano-3-(3,4,5-trimethoxyphenyl)prop-2-enethioamide

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Systematic / IUPAC Name: (E)-2-Cyano-3-(3,4,5-trimethoxyphenyl)prop-2-enethioamide

ID: Reference5591

Other Names:

Formula: C13H14N2O3S

Spectral Data

2-Cyano-3-(3,4,5-trimethoxyphenyl)prop-2-enethioamide 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 2
No. of Spectra 233
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 9/12/2016 1:56:56 PM
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Identificators

InChI InChI=1S/C13H14N2O3S/c1-16-10-5-8(4-9(7-14)13(15)19)6-11(17-2)12(10)18-3/h4-6H,1-3H3,(H2,15,19)/b9-4+
InChI Key QRTVQOCXVYUFQB-RUDMXATFSA-N
Canonical SMILES COC1=CC(=CC(=C1OC)OC)C=C(C#N)C(=S)N
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In Other Databases

ChemSpider 1318703
PubChem 1652112