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2-(azepan-1-yl)-1-phenylhexan-1-one
SpectraBase Compound ID D7L7rWksyWv
InChI InChI=1S/C18H27NO/c1-2-3-13-17(19-14-9-4-5-10-15-19)18(20)16-11-7-6-8-12-16/h6-8,11-12,17H,2-5,9-10,13-15H2,1H3
InChIKey BDUBVKPLHHQVFN-UHFFFAOYSA-N
Mol Weight 273.42 g/mol
Molecular Formula C18H27NO
Exact Mass 273.209264 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4rnndgBf0Vu
Name 2-(azepan-1-yl)-1-phenylhexan-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H27NO
InChI InChI=1S/C18H27NO/c1-2-3-13-17(19-14-9-4-5-10-15-19)18(20)16-11-7-6-8-12-16/h6-8,11-12,17H,2-5,9-10,13-15H2,1H3
InChIKey BDUBVKPLHHQVFN-UHFFFAOYSA-N
Molecular Weight 273.420 g/mol
SMILES c1cccc(c1)C(C(N1CCCCCC1)CCCC)=O
SPLASH splash10-014i-3900000000-550303fab92529fa6f71
Source of Spectrum Professor Randall Clark, Department: Drug Discovery and Development, Auburn University, Harrison School of Pharmacy, 3306 Walker Building, Auburn, AL 36849
Wiley ID 1815945