(1R,9R)-3-Phenyl-11-(2-thienylsulfonyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one

Systematic / IUPAC Name: (1R,9R)-3-Phenyl-11-thiophen-2-ylsulfonyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one

ID: Reference13219

Other Names: NAT11-291146

Formula: C21H20N2O3S2

Spectral Data

(1R,9R)-3-Phenyl-11-(2-thienylsulfonyl)-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 975
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 7/11/2024 9:07:27 AM
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Identificators

InChI InChI=1S/C21H20N2O3S2/c24-19-9-8-18(16-5-2-1-3-6-16)21-17-11-15(13-23(19)21)12-22(14-17)28(25,26)20-7-4-10-27-20/h1-10,15,17H,11-14H2/t15-,17+/m0/s1
InChI Key PGTZTXCRVAAPSP-DOTOQJQBSA-N
Canonical SMILES C1C2CN(CC1C3=C(C=CC(=O)N3C2)C4=CC=CC=C4)S(=O)(=O)C5=CC=CS5
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Other Names NAT11-291146

In Other Databases

PubChem 7155435
ChemSpider 5495612