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(syn)-8-benzoyloxy-2-(4'-chlorophenylsulphonyl)-2-azabicyclo[3.2.1]octa-3,6-diene
SpectraBase Compound ID GZeblGCWxPn
InChI InChI=1S/C20H16ClNO4S/c21-16-7-9-17(10-8-16)27(24,25)22-13-12-14-6-11-18(22)19(14)26-20(23)15-4-2-1-3-5-15/h1-14,18-19H
InChIKey RMKBIMUMIJLJAA-UHFFFAOYSA-N
Mol Weight 401.86 g/mol
Molecular Formula C20H16ClNO4S
Exact Mass 401.048857 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CSdMDJulwtG
Name (syn)-8-benzoyloxy-2-(4'-chlorophenylsulphonyl)-2-azabicyclo[3.2.1]octa-3,6-diene
CAS Registry Number 136708-63-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H16ClNO4S
InChI InChI=1S/C20H16ClNO4S/c21-16-7-9-17(10-8-16)27(24,25)22-13-12-14-6-11-18(22)19(14)26-20(23)15-4-2-1-3-5-15/h1-14,18-19H
InChIKey RMKBIMUMIJLJAA-UHFFFAOYSA-N
Molecular Weight 401.864 g/mol
SMILES C12N(S(c3ccc(cc3)Cl)(=O)=O)C=CC(C1OC(=O)c1ccccc1)C=C2
SPLASH splash10-0a4i-0940300000-9b568f867093774a6f93
Source of Spectrum K-124-2891-2
Synonyms 2-[(4-chlorophenyl)sulfonyl]-2-azabicyclo[3.2.1]octa-3,6-dien-8-yl benzoate benzoic acid[4-(4-chlorophenyl)sulfonyl-4-azabicyclo[3.2.1]octa-2,6-dien-8-yl]ester [4-(4-chlorophenyl)sulfonyl-4-azabicyclo[3.2.1]octa-2,6-dien-8-yl]benzoate [4-(4-chlorophenyl)sulfonyl-4-azabicyclo[3.2.1]octa-2,6-dien-8-yl] benzoate
Wiley ID 1369925