Ethyl 3-[(4-methylphenyl)sulfonyl]-9-oxo-3-azabicyclo[3.3.1]nonane-7-carboxylate

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Systematic / IUPAC Name: Ethyl 3-[(4-methylphenyl)sulfonyl]-9-oxo-3-azabicyclo[3.3.1]nonane-7-carboxylate

ID: Reference4548

Other Names: 3-Azabicyclo[3.3.1]nonane-7-carboxylic acid, 3-[(4-methylphenyl)sulfonyl]-9-oxo-, ethyl ester

Formula: C18H23NO5S

Spectral Data

Ethyl 3-[(4-methylphenyl)sulfonyl]-9-oxo-3-azabicyclo[3.3.1]nonane-7-carboxylate 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 4/14/2016 7:49:07 AM
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Identificators

InChI InChI=1S/C18H23NO5S/c1-3-24-18(21)13-8-14-10-19(11-15(9-13)17(14)20)25(22,23)16-6-4-12(2)5-7-16/h4-7,13-15H,3,8-11H2,1-2H3
InChI Key IYNUVJINQWFTIF-UHFFFAOYSA-N
Canonical SMILES CCOC(=O)C1CC2CN(CC(C1)C2=O)S(=O)(=O)C3=CC=C(C=C3)C
CAS
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Other Names 3-Azabicyclo[3.3.1]nonane-7-carboxylic acid, 3-[(4-methylphenyl)sulfonyl]-9-oxo-, ethyl ester

In Other Databases

ChemSpider 2081587
PubChem 2802914