(1R,9R)-11-[(4-Chlorophenyl)sulfonyl]-5-(2,3-dimethylphenyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one

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Systematic / IUPAC Name: (1R,9R)-11-(4-Chlorophenyl)sulfonyl-5-(2,3-dimethylphenyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one

ID: Reference13200

Other Names: NAT11-295615

Formula: C25H25ClN2O3S

Spectral Data

(1R,9R)-11-[(4-Chlorophenyl)sulfonyl]-5-(2,3-dimethylphenyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-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 Orbitrap Fusion Lumos with ETD LBP
No. of Spectral Trees 1
No. of Spectra 2049
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 6/21/2024 1:44:30 PM
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Identificators

InChI InChI=1S/C25H25ClN2O3S/c1-16-4-3-5-22(17(16)2)23-10-11-24-19-12-18(14-28(24)25(23)29)13-27(15-19)32(30,31)21-8-6-20(26)7-9-21/h3-11,18-19H,12-15H2,1-2H3/t18-,19+/m0/s1
InChI Key IDTCTSYKZVOILL-RBUKOAKNSA-N
Canonical SMILES CC1=C(C(=CC=C1)C2=CC=C3C4CC(CN(C4)S(=O)(=O)C5=CC=C(C=C5)Cl)CN3C2=O)C
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Other Names NAT11-295615

In Other Databases

PubChem 11887647
ChemSpider 10061970