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1H-Azepine, 1-[(4-methylphenyl)sulfonyl]-
SpectraBase Compound ID 1HUg24LMYsi
InChI InChI=1S/C13H13NO2S/c1-12-6-8-13(9-7-12)17(15,16)14-10-4-2-3-5-11-14/h2-11H,1H3
InChIKey OPRYNKMSXXJJJD-UHFFFAOYSA-N
Mol Weight 247.31 g/mol
Molecular Formula C13H13NO2S
Exact Mass 247.0667 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4aE32Rp6wVe
Name 1H-Azepine, 1-[(4-methylphenyl)sulfonyl]-
CAS Registry Number 70717-27-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H13NO2S
InChI InChI=1S/C13H13NO2S/c1-12-6-8-13(9-7-12)17(15,16)14-10-4-2-3-5-11-14/h2-11H,1H3
InChIKey OPRYNKMSXXJJJD-UHFFFAOYSA-N
Molecular Weight 247.312 g/mol
SMILES C=1N(C=CC=CC1)S(=O)(=O)c1ccc(cc1)C
SPLASH splash10-00kf-9120000000-a64f45e24b939af26576
Source of Spectrum SO-0-501-3
Synonyms 1-(p-tolylsulfonyl)azepine 1-(4-Methylphenyl)sulfonylazepine
Wiley ID 1543274