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8-Chloranyl-4-(2-nitrophenyl)sulfonyl-4-azabicyclo[3.2.1]octa-2,6-diene
SpectraBase Compound ID 3qir6odqRZk
InChI InChI=1S/C13H11ClN2O4S/c14-13-9-5-6-11(13)15(8-7-9)21(19,20)12-4-2-1-3-10(12)16(17)18/h1-9,11,13H
InChIKey OFLIDVRSQABCPK-UHFFFAOYSA-N
Mol Weight 326.75 g/mol
Molecular Formula C13H11ClN2O4S
Exact Mass 326.012806 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Amh8RcVhLVm
Name 8-Chloranyl-4-(2-nitrophenyl)sulfonyl-4-azabicyclo[3.2.1]octa-2,6-diene
Alternate Name(s) 8-Chloro-4-(2-nitrophenyl)sulfonyl-4-azabicyclo[3.2.1]octa-2,6-diene
CAS Registry Number 136708-72-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H11ClN2O4S
InChI InChI=1S/C13H11ClN2O4S/c14-13-9-5-6-11(13)15(8-7-9)21(19,20)12-4-2-1-3-10(12)16(17)18/h1-9,11,13H
InChIKey OFLIDVRSQABCPK-UHFFFAOYSA-N
Molecular Weight 326.754 g/mol
SMILES C12N(S(c3c(N(=O)=O)cccc3)(=O)=O)C=CC(C=C1)C2Cl
SPLASH splash10-000l-0901000000-2c8c74f777681857ebcf
Source of Spectrum K-124-2892-2
Wiley ID 1324391