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7-Methyl-2-(methylsulfanyl)-3-(1H-pyrrol-1-yl)-4,5-dihydro-3H-azepine
SpectraBase Compound ID BXtJR038v60
InChI InChI=1S/C12H16N2S/c1-10-6-5-7-11(12(13-10)15-2)14-8-3-4-9-14/h3-4,6,8-9,11H,5,7H2,1-2H3
InChIKey KYBNQOHPUQSLAA-UHFFFAOYSA-N
Mol Weight 220.33 g/mol
Molecular Formula C12H16N2S
Exact Mass 220.10342 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BjdhMKTOXiF
Name 7-Methyl-2-(methylsulfanyl)-3-(1H-pyrrol-1-yl)-4,5-dihydro-3H-azepine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16N2S
InChI InChI=1S/C12H16N2S/c1-10-6-5-7-11(12(13-10)15-2)14-8-3-4-9-14/h3-4,6,8-9,11H,5,7H2,1-2H3
InChIKey KYBNQOHPUQSLAA-UHFFFAOYSA-N
Molecular Weight 220.334 g/mol
SMILES C1(=NC(=CCCC1[n]1cccc1)C)SC
SPLASH splash10-05fr-0590000000-becc00945c44a47747b2
Source of Spectrum O1-45-300-7
Synonyms 7-Methyl-3-(pyrrol-1-yl)-2-(methylsulfanyl)-4,5-dihydro-3H-azepine 7-Methyl-2-methylsulfanyl-3-(pyrrol-1-yl)-4,5-dihydro-3H-azepine
Wiley ID 1669363