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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 62ev1CSOMa0
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(S(c2ccc(cc2)C)(=O)=O)C=CC=CC1
SPLASH splash10-00kf-9000000000-056e7130224f1aeb99da
Source of Spectrum O-23-242-3
Synonyms 1-(p-tolylsulfonyl)azepine 1-(4-Methylphenyl)sulfonylazepine
Wiley ID 1249899