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8-(p-Methylphenyl)-10-p-toluenesulfonyl-8,10-diazabicyclo[5.3.0]deca-2,4,6-trien-9-one
SpectraBase Compound ID 2HxHQxFAH9B
InChI InChI=1S/C22H20N2O3S/c1-16-8-12-18(13-9-16)23-20-6-4-3-5-7-21(20)24(22(23)25)28(26,27)19-14-10-17(2)11-15-19/h3-15,21H,1-2H3
InChIKey NBPZEHIJRWGHDT-UHFFFAOYSA-N
Mol Weight 392.47 g/mol
Molecular Formula C22H20N2O3S
Exact Mass 392.119464 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4UiKak8YQC
Name 8-(p-Methylphenyl)-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 C22H20N2O3S
InChI InChI=1S/C22H20N2O3S/c1-16-8-12-18(13-9-16)23-20-6-4-3-5-7-21(20)24(22(23)25)28(26,27)19-14-10-17(2)11-15-19/h3-15,21H,1-2H3
InChIKey NBPZEHIJRWGHDT-UHFFFAOYSA-N
Molecular Weight 392.473 g/mol
SMILES c1(S(N2C(N(c3ccc(cc3)C)C=3C2C=CC=CC3)=O)(=O)=O)ccc(cc1)C
SPLASH splash10-0002-0910000000-ecca1235690be0c1dec7
Source of Spectrum H1-34-1417-3
Synonyms 1-(4-Methylphenyl)-3-[(4-methylphenyl)sulfonyl]-3,3a-dihydrocyclohepta[d]imidazol-2(1H)-one
Wiley ID 754782