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4-tert-Butyl-1-[(4-methylphenyl)sulfonyl]-2,7-dihydro-1H-azepine
SpectraBase Compound ID LlTrZBtbMCa
InChI InChI=1S/C17H23NO2S/c1-14-7-9-16(10-8-14)21(19,20)18-12-5-6-15(11-13-18)17(2,3)4/h5-11H,12-13H2,1-4H3
InChIKey KBFAQQNMUPKWNY-UHFFFAOYSA-N
Mol Weight 305.44 g/mol
Molecular Formula C17H23NO2S
Exact Mass 305.14495 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HdnRTue3DMk
Name 4-tert-Butyl-1-[(4-methylphenyl)sulfonyl]-2,7-dihydro-1H-azepine
Alternate Name(s) 4-tert-Butyl-1-(p-tolylsulfonyl)-2,7-dihydroazepine 4-tert-Butyl-1-(4-methylphenyl)sulfonyl-2,7-dihydroazepine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H23NO2S
InChI InChI=1S/C17H23NO2S/c1-14-7-9-16(10-8-14)21(19,20)18-12-5-6-15(11-13-18)17(2,3)4/h5-11H,12-13H2,1-4H3
InChIKey KBFAQQNMUPKWNY-UHFFFAOYSA-N
Molecular Weight 305.436 g/mol
SMILES C1N(CC=CC(=C1)C(C)(C)C)S(=O)(=O)c1ccc(cc1)C
SPLASH splash10-0006-9000000000-e1432bd4c09858a0baae
Source of Spectrum KC-0-3662-0
Wiley ID 829619