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8-(p-Chlorophenyl)-10-p-toluenesulfonyl-8,10-diazabicyclo[5.3.0]deca-2,4,6-trien-9-one
SpectraBase Compound ID 80mU8Qawg3g
InChI InChI=1S/C21H17ClN2O3S/c1-15-7-13-18(14-8-15)28(26,27)24-20-6-4-2-3-5-19(20)23(21(24)25)17-11-9-16(22)10-12-17/h2-14,20H,1H3
InChIKey HQRYXBDYJWKZTQ-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 1eGtJLqBVx7
Name 8-(p-Chlorophenyl)-10-p-toluenesulfonyl-8,10-diazabicyclo[5.3.0]deca-2,4,6-trien-9-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H17ClN2O3S
InChI InChI=1S/C21H17ClN2O3S/c1-15-7-13-18(14-8-15)28(26,27)24-20-6-4-2-3-5-19(20)23(21(24)25)17-11-9-16(22)10-12-17/h2-14,20H,1H3
InChIKey HQRYXBDYJWKZTQ-UHFFFAOYSA-N
Molecular Weight 412.891 g/mol
SMILES c1(S(N2C(N(c3ccc(cc3)Cl)C=3C2C=CC=CC3)=O)(=O)=O)ccc(cc1)C
SPLASH splash10-0aor-0090100000-4db33d84a489cb4e2be3
Source of Spectrum H1-34-1418-3
Synonyms 1-(4-Chlorophenyl)-3-[(4-methylphenyl)sulfonyl]-3,3a-dihydrocyclohepta[d]imidazol-2(1H)-one
Wiley ID 754781