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1-[(4-Methylphenyl)sulfonyl]-2,3,6,7-tetrahydro-1H-azepine
SpectraBase Compound ID FiuRjEDJBiI
InChI InChI=1S/C13H17NO2S/c1-12-6-8-13(9-7-12)17(15,16)14-10-4-2-3-5-11-14/h2-3,6-9H,4-5,10-11H2,1H3
InChIKey NZLYCWGZDCVFJG-UHFFFAOYSA-N
Mol Weight 251.34 g/mol
Molecular Formula C13H17NO2S
Exact Mass 251.098 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GBFOaghDjOn
Name 1-[(4-Methylphenyl)sulfonyl]-2,3,6,7-tetrahydro-1H-azepine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H17NO2S
InChI InChI=1S/C13H17NO2S/c1-12-6-8-13(9-7-12)17(15,16)14-10-4-2-3-5-11-14/h2-3,6-9H,4-5,10-11H2,1H3
InChIKey NZLYCWGZDCVFJG-UHFFFAOYSA-N
Literature Reference DOI 10.1039/b605138c
Molecular Weight 251.344 g/mol
SMILES C1N(CCC=CC1)S(c1ccc(cc1)C)(=O)=O
SPLASH splash10-0006-9000000000-94f7c5c248f04f75a2b2
Source of Spectrum GCH-8-685/SM6-13d
Synonyms 1-Tosyl-2,3,6,7-tetrahydro-1H-azepine 1-(p-tolylsulfonyl)-2,3,6,7-tetrahydroazepine 1-(4-Methylphenyl)sulfonyl-2,3,6,7-tetrahydroazepine
Wiley ID 1760612