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6-(4-Fluorophenyl)-7-methyl-2-(methylsulfanyl)-4,5-dihydro-3H-azepine
SpectraBase Compound ID 9cj1DGD9EHU
InChI InChI=1S/C14H16FNS/c1-10-4-3-5-13(14(16-10)17-2)11-6-8-12(15)9-7-11/h4,6-9,13H,3,5H2,1-2H3
InChIKey YPGQZSLOXFZAFU-UHFFFAOYSA-N
Mol Weight 249.35 g/mol
Molecular Formula C14H16FNS
Exact Mass 249.098749 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FAmGI4lzrPE
Name 6-(4-Fluorophenyl)-7-methyl-2-(methylsulfanyl)-4,5-dihydro-3H-azepine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H16FNS
InChI InChI=1S/C14H16FNS/c1-10-4-3-5-13(14(16-10)17-2)11-6-8-12(15)9-7-11/h4,6-9,13H,3,5H2,1-2H3
InChIKey YPGQZSLOXFZAFU-UHFFFAOYSA-N
Molecular Weight 249.347 g/mol
SMILES C1(=NC(=CCCC1c1ccc(cc1)F)C)SC
SPLASH splash10-03di-0950000000-84a986092586c394866a
Source of Spectrum F4-43-2202-15d
Synonyms 3-(4-Fluorophenyl)-7-methyl-2-(methylsulfanyl)-4,5-dihydro-3H-azepine
Wiley ID 1675698