2-{[(4-Chlorophenyl)thio]methyl}quinuclidin-3-one

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Systematic / IUPAC Name: 2-{[(4-Chlorophenyl)sulfanyl]methyl}quinuclidin-3-one

ID: Reference5045

Other Names: 1-Azabicyclo[2.2.2]octan-3-one, 2-{[(4-chlorophenyl)thio]methyl}-

Formula: C14H16ClNOS

Spectral Data

2-{[(4-Chlorophenyl)thio]methyl}quinuclidin-3-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 6/27/2016 8:31:30 AM
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Identificators

InChI InChI=1S/C14H16ClNOS/c15-11-1-3-12(4-2-11)18-9-13-14(17)10-5-7-16(13)8-6-10/h1-4,10,13H,5-9H2
InChI Key YZFHRTZIHJCXEI-UHFFFAOYSA-N
Canonical SMILES C1CN2CCC1C(=O)C2CSC3=CC=C(C=C3)Cl
CAS
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Other Names 1-Azabicyclo[2.2.2]octan-3-one, 2-{[(4-chlorophenyl)thio]methyl}-

In Other Databases

ChemSpider 2100314
ChEMBL CHEMBL2316612
PubChem 2822094