O-Methyl N-(3-phenylallanoyl)carbamothioate

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Systematic / IUPAC Name: O-Methyl [(2E)-3-phenyl-2-propenoyl]carbamothioate

ID: Reference4179

Other Names: Carbamothioic acid, N-[(2E)-1-oxo-3-phenyl-2-propen-1-yl], O-methyl ester

Formula: C11H11NO2S

Spectral Data

O-Methyl N-(3-phenylallanoyl)carbamothioate 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 234
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 3/14/2016 8:38:16 AM
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Identificators

InChI InChI=1S/C11H11NO2S/c1-14-11(15)12-10(13)8-7-9-5-3-2-4-6-9/h2-8H,1H3,(H,12,13,15)/b8-7+
InChI Key VUVQZSPVIJBPQF-BQYQJAHWSA-N
Canonical SMILES COC(=S)NC(=O)C=CC1=CC=CC=C1
CAS
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Other Names Carbamothioic acid, N-[(2E)-1-oxo-3-phenyl-2-propen-1-yl], O-methyl ester

In Other Databases

PubChem 5716805
ChemSpider 4653661