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Pyridine, 1,4-dihydro-1-[(4-methylphenyl)sulfonyl]-4-(2-oxocyclohexyl)-
SpectraBase Compound ID 8XqQCLECa90
InChI InChI=1S/C18H21NO3S/c1-14-6-8-16(9-7-14)23(21,22)19-12-10-15(11-13-19)17-4-2-3-5-18(17)20/h6-13,15,17H,2-5H2,1H3
InChIKey DXKRAWKBCVJLBO-UHFFFAOYSA-N
Mol Weight 331.43 g/mol
Molecular Formula C18H21NO3S
Exact Mass 331.124215 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FHfdwr8SO9z
Name Pyridine, 1,4-dihydro-1-[(4-methylphenyl)sulfonyl]-4-(2-oxocyclohexyl)-
CAS Registry Number 58787-16-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H21NO3S
InChI InChI=1S/C18H21NO3S/c1-14-6-8-16(9-7-14)23(21,22)19-12-10-15(11-13-19)17-4-2-3-5-18(17)20/h6-13,15,17H,2-5H2,1H3
InChIKey DXKRAWKBCVJLBO-UHFFFAOYSA-N
Molecular Weight 331.430 g/mol
SMILES C=1N(S(c2ccc(cc2)C)(=O)=O)C=CC(C1)C1C(=O)CCCC1
SPLASH splash10-055f-9220000000-27ef3f7af884a9a10ea4
Source of Spectrum B-28-2696-0
Synonyms 2-(1-Tosyl-1,4-dihydropyridin-4-yl)cyclohexanone 2-{1-[(4-methylphenyl)sulfonyl]-1,4-dihydro-4-pyridinyl}cyclohexanone
Wiley ID 1328664