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3-METHYL-OXEPIN-5(2H)-ONE

View entire compound with spectra: 1 NMR, and 2 MS (GC)

3-METHYL-OXEPIN-5(2H)-ONE
SpectraBase Compound ID BP4yu1lE2Q0
InChI InChI=1S/C19H18O3/c1-13-9-16(20)19-17(21)10-15(11-18(19)22-12-13)8-7-14-5-3-2-4-6-14/h2-6,9-11,21H,7-8,12H2,1H3
InChIKey XURNHRVBFDWYOX-UHFFFAOYSA-N
Mol Weight 294.35 g/mol
Molecular Formula C19H18O3
Exact Mass 294.125594 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2xFXAKDk5Bs
Name 3-METHYL-OXEPIN-5(2H)-ONE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H18O3
InChI InChI=1S/C19H18O3/c1-13-9-16(20)19-17(21)10-15(11-18(19)22-12-13)8-7-14-5-3-2-4-6-14/h2-6,9-11,21H,7-8,12H2,1H3
InChIKey XURNHRVBFDWYOX-UHFFFAOYSA-N
Literature Reference Author M.TOYOTA,I.OMATSU,J.BRAGGINS,Y.ASAKAWA
Literature Reference Citation CHEM.PHARM.BULL.,59,480(2011)
Literature Reference DOI 10.1248/cpb.59.480
Molecular Weight 294.350 g/mol
Source File Reference UWIR3126