2-(3-Thienylmethylidene)quinuclidin-3-one

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Systematic / IUPAC Name: (2E)-2-(3-Thienylmethylene)quinuclidin-3-one

ID: Reference5224

Other Names: 1-Azabicyclo[2.2.2]octan-3-one, 2-(3-thienylmethylene)-, (2E)-

Formula: C12H13NOS

Spectral Data

2-(3-Thienylmethylidene)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 7/21/2016 12:15:09 PM
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Identificators

InChI InChI=1S/C12H13NOS/c14-12-10-1-4-13(5-2-10)11(12)7-9-3-6-15-8-9/h3,6-8,10H,1-2,4-5H2/b11-7+
InChI Key YXFBTPRFLODMDF-YRNVUSSQSA-N
Canonical SMILES C1CN2CCC1C(=O)C2=CC3=CSC=C3
CAS
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Other Names 1-Azabicyclo[2.2.2]octan-3-one, 2-(3-thienylmethylene)-, (2E)-

In Other Databases

ChemSpider 1532618
ChEMBL CHEMBL1405090
PubChem 2030154