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(syn)-8-benzoyloxy-2-(4'-nitrophenylsulphonyl)-2-azabicyclo[3.2.1]octa-3,6-diene
SpectraBase Compound ID I6Ok1Q6UjPA
InChI InChI=1S/C20H16N2O6S/c23-20(15-4-2-1-3-5-15)28-19-14-6-11-18(19)21(13-12-14)29(26,27)17-9-7-16(8-10-17)22(24)25/h1-14,18-19H
InChIKey RBDRHHMQHDEARJ-UHFFFAOYSA-N
Mol Weight 412.42 g/mol
Molecular Formula C20H16N2O6S
Exact Mass 412.072907 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GMumrlzDaRF
Name (syn)-8-benzoyloxy-2-(4'-nitrophenylsulphonyl)-2-azabicyclo[3.2.1]octa-3,6-diene
Alternate Name(s) 2-[(4-nitrophenyl)sulfonyl]-2-azabicyclo[3.2.1]octa-3,6-dien-8-yl benzoate
CAS Registry Number 136708-64-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H16N2O6S
InChI InChI=1S/C20H16N2O6S/c23-20(15-4-2-1-3-5-15)28-19-14-6-11-18(19)21(13-12-14)29(26,27)17-9-7-16(8-10-17)22(24)25/h1-14,18-19H
InChIKey RBDRHHMQHDEARJ-UHFFFAOYSA-N
Molecular Weight 412.416 g/mol
SMILES C12N(S(c3ccc(N(=O)=O)cc3)(=O)=O)C=CC(C1OC(=O)c1ccccc1)C=C2
SPLASH splash10-0a4i-0900100000-4f0622b4dc729af02669
Source of Spectrum K-124-2891-2
Wiley ID 1374326