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8-(p-Methoxyphenyl)-10-p-toluenesulfonyl-8,10-diazabicyclo[5.3.0]deca-2,4,6-trien-9-one
SpectraBase Compound ID FZL8dPnBY6k
InChI InChI=1S/C22H20N2O4S/c1-16-8-14-19(15-9-16)29(26,27)24-21-7-5-3-4-6-20(21)23(22(24)25)17-10-12-18(28-2)13-11-17/h3-15,21H,1-2H3
InChIKey VPHBYXBNGZWMII-UHFFFAOYSA-N
Mol Weight 408.47 g/mol
Molecular Formula C22H20N2O4S
Exact Mass 408.114378 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5A5442IiOG1
Name 8-(p-Methoxyphenyl)-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 C22H20N2O4S
InChI InChI=1S/C22H20N2O4S/c1-16-8-14-19(15-9-16)29(26,27)24-21-7-5-3-4-6-20(21)23(22(24)25)17-10-12-18(28-2)13-11-17/h3-15,21H,1-2H3
InChIKey VPHBYXBNGZWMII-UHFFFAOYSA-N
Molecular Weight 408.472 g/mol
SMILES c1(S(N2C(N(c3ccc(cc3)OC)C=3C2C=CC=CC3)=O)(=O)=O)ccc(cc1)C
SPLASH splash10-03dj-0690200000-8aaf313e6ab922f33dee
Source of Spectrum H1-34-1417-3
Synonyms 1-(4-Methoxyphenyl)-3-[(4-methylphenyl)sulfonyl]-3,3a-dihydrocyclohepta[d]imidazol-2(1H)-one
Wiley ID 754783