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(+/-)-trans-6-butyl-7-phenylazepan-2-one
SpectraBase Compound ID Dn7T0oiF3AV
InChI InChI=1S/C16H23NO/c1-2-3-8-13-11-7-12-15(18)17-16(13)14-9-5-4-6-10-14/h4-6,9-10,13,16H,2-3,7-8,11-12H2,1H3,(H,17,18)/t13-,16-/m1/s1
InChIKey CANASGXOJXJZOW-CZUORRHYSA-N
Mol Weight 245.37 g/mol
Molecular Formula C16H23NO
Exact Mass 245.177964 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6CXhoaCJ4hI
Name (+/-)-trans-6-butyl-7-phenylazepan-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H23NO
InChI InChI=1S/C16H23NO/c1-2-3-8-13-11-7-12-15(18)17-16(13)14-9-5-4-6-10-14/h4-6,9-10,13,16H,2-3,7-8,11-12H2,1H3,(H,17,18)/t13-,16-/m1/s1
InChIKey CANASGXOJXJZOW-CZUORRHYSA-N
Literature Reference DOI 10.1039/C5CC09837H
Molecular Weight 245.366 g/mol
SMILES N1[C@]([C@@](CCCC1=O)(CCCC)[H])(c1ccccc1)[H]
SPLASH splash10-0bt9-0900000000-7b00e568caf48015ca9e
Source of Spectrum KD-52-2382/SM27-4d
Synonyms (6R,7R)-6-butyl-7-phenylazepan-2-one
Wiley ID 1803742