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1-(4-Methylphenyl)sulfonyl-2,3,4,7-tetrahydroazepine

View entire compound with spectra: 1 MS (GC)

1-(4-Methylphenyl)sulfonyl-2,3,4,7-tetrahydroazepine
SpectraBase Compound ID 5ece82EqWrq
InChI InChI=1S/C13H17NO2S/c1-12-6-8-13(9-7-12)17(15,16)14-10-4-2-3-5-11-14/h2,4,6-9H,3,5,10-11H2,1H3
InChIKey PVCPYGAWYPKUGU-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 25sVCNSh5zp
Name 1-(4-Methylphenyl)sulfonyl-2,3,4,7-tetrahydroazepine
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/h2,4,6-9H,3,5,10-11H2,1H3
InChIKey PVCPYGAWYPKUGU-UHFFFAOYSA-N
Molecular Weight 251.344 g/mol
SMILES C1N(CC=CCC1)S(=O)(=O)c1ccc(cc1)C
SPLASH splash10-0uym-9550000000-a9cca59e1d29b83da135
Source of Spectrum F4-0-3371-23
Synonyms 1-(p-tolylsulfonyl)-2,3,4,7-tetrahydroazepine 1-Tosyl-2,3,4,7-tetrahydroazepine
Wiley ID 1619072