2-Propynyl N-[6-(phenylsulfanyl)-5-(trifluoromethyl)-3-pyridinyl]carbamate

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Systematic / IUPAC Name: 2-Propyn-1-yl [6-(phenylsulfanyl)-5-(trifluoromethyl)-3-pyridinyl]carbamate

ID: Reference4860

Other Names: (6-Phenylsulfanyl-5-trifluoromethylpyridin-3-yl)carbamic acid, prop-2-ynyl ester;
Carbamic acid, N-[6-(phenylthio)-5-(trifluoromethyl)-3-pyridinyl], 2-propyn-1-yl ester

Formula: C16H11F3N2O2S

Spectral Data

2-Propynyl N-[6-(phenylsulfanyl)-5-(trifluoromethyl)-3-pyridinyl]carbamate 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 5/13/2016 1:00:47 PM
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Identificators

InChI InChI=1S/C16H11F3N2O2S/c1-2-8-23-15(22)21-11-9-13(16(17,18)19)14(20-10-11)24-12-6-4-3-5-7-12/h1,3-7,9-10H,8H2,(H,21,22)
InChI Key BFZJLWWHJVYONY-UHFFFAOYSA-N
Canonical SMILES C#CCOC(=O)NC1=CN=C(C(=C1)C(F)(F)F)SC2=CC=CC=C2
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Other Names (6-Phenylsulfanyl-5-trifluoromethylpyridin-3-yl)carbamic acid, prop-2-ynyl ester;
Carbamic acid, N-[6-(phenylthio)-5-(trifluoromethyl)-3-pyridinyl], 2-propyn-1-yl ester

In Other Databases

PubChem 534199
ChemSpider 465406