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6-Tosyl-3-(p-chlorophenyl)-1,3-diazadihydroazulanone
SpectraBase Compound ID 6HQb6kT6ytj
InChI InChI=1S/C21H17ClN2O3S/c1-14-2-8-17(9-3-14)28(26,27)18-10-12-19-20(13-11-18)24(21(25)23-19)16-6-4-15(22)5-7-16/h2-13,18H,1H3,(H,23,25)
InChIKey ADKKEONLTFWLMR-UHFFFAOYSA-N
Mol Weight 412.89 g/mol
Molecular Formula C21H17ClN2O3S
Exact Mass 412.064841 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3oXifUTzAHA
Name 6-Tosyl-3-(p-chlorophenyl)-1,3-diazadihydroazulanone
Alternate Name(s) 1-(4-Chloro-phenyl)-6-(toluene-4-sulfonyl)-3,6-dihydro-1H-cycloheptaimidazol-2-one 1-(4-Chlorophenyl)-6-[(4-methylphenyl)sulfonyl]-3,6-dihydrocyclohepta[d]imidazol-2(1H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H17ClN2O3S
InChI InChI=1S/C21H17ClN2O3S/c1-14-2-8-17(9-3-14)28(26,27)18-10-12-19-20(13-11-18)24(21(25)23-19)16-6-4-15(22)5-7-16/h2-13,18H,1H3,(H,23,25)
InChIKey ADKKEONLTFWLMR-UHFFFAOYSA-N
Molecular Weight 412.891 g/mol
SMILES N1C=2C=CC(C=CC2N(C1=O)c1ccc(cc1)Cl)S(c1ccc(cc1)C)(=O)=O
SPLASH splash10-0a4i-0090000000-625b8d6642589b5989a3
Source of Spectrum H1-53-523-2
Wiley ID 817710