2-(Phenylthio)-1-[4-(1H-pyrrol-1-yl)piperidino]ethan-1-one

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Systematic / IUPAC Name: 2-Phenylsulfanyl-1-(4-pyrrol-1-ylpiperidin-1-yl)ethanone

ID: Reference8604

Other Names: Ethanone, 2-(phenylthio)-1-[4-(1H-pyrrol-1-yl)-1-piperidinyl]-

Formula: C17H20N2OS

Spectral Data

2-(Phenylthio)-1-[4-(1H-pyrrol-1-yl)piperidino]ethan-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 110
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 3/5/2019 1:45:08 PM
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Identificators

InChI InChI=1S/C17H20N2OS/c20-17(14-21-16-6-2-1-3-7-16)19-12-8-15(9-13-19)18-10-4-5-11-18/h1-7,10-11,15H,8-9,12-14H2
InChI Key PLPBOIWVLDBLOW-UHFFFAOYSA-N
Canonical SMILES C1CN(CCC1N2C=CC=C2)C(=O)CSC3=CC=CC=C3
CAS
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Other Names Ethanone, 2-(phenylthio)-1-[4-(1H-pyrrol-1-yl)-1-piperidinyl]-

In Other Databases

ChemSpider 2100930
PubChem 2822717