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(6R,7S)-6,7-diphenyl-3-oxepanone

View entire compound with spectra: 1 MS (GC)

(6R,7S)-6,7-diphenyl-3-oxepanone
SpectraBase Compound ID 2H6m5SDMKgD
InChI InChI=1S/C18H18O2/c19-16-11-12-17(14-7-3-1-4-8-14)18(20-13-16)15-9-5-2-6-10-15/h1-10,17-18H,11-13H2/t17-,18-/m1/s1
InChIKey YXCGDEWWUXXKRJ-QZTJIDSGSA-N
Mol Weight 266.34 g/mol
Molecular Formula C18H18O2
Exact Mass 266.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 18kok0yLJo
Name (6R,7S)-6,7-diphenyl-3-oxepanone
Alternate Name(s) (6R,7S)-6,7-diphenyloxepan-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H18O2
InChI InChI=1S/C18H18O2/c19-16-11-12-17(14-7-3-1-4-8-14)18(20-13-16)15-9-5-2-6-10-15/h1-10,17-18H,11-13H2/t17-,18-/m1/s1
InChIKey YXCGDEWWUXXKRJ-QZTJIDSGSA-N
Molecular Weight 266.340 g/mol
SMILES [C@]1(OCC(CC[C@@]1(c1ccccc1)[H])=O)(c1ccccc1)[H]
SPLASH splash10-0ik9-1900000000-48c2772770e126a9a329
Source of Spectrum KC-0-2370-32
Wiley ID 825857