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Nauclefine E-ring isomer 3

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Nauclefine E-ring isomer 3
SpectraBase Compound ID DUGNGfzHgKI
InChI InChI=1S/C18H13N3O/c22-18-16-11(4-3-8-19-16)10-15-17-13(7-9-21(15)18)12-5-1-2-6-14(12)20-17/h1-6,8,10,20H,7,9H2
InChIKey NFBQJQIJUIEHLD-UHFFFAOYSA-N
Mol Weight 287.32 g/mol
Molecular Formula C18H13N3O
Exact Mass 287.105862 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FsVvtGs6wsz
Name Nauclefine E-ring isomer 3
CAS Registry Number 62298-31-1
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C18H13N3O
InChI InChI=1S/C18H13N3O/c22-18-16-11(4-3-8-19-16)10-15-17-13(7-9-21(15)18)12-5-1-2-6-14(12)20-17/h1-6,8,10,20H,7,9H2
InChIKey NFBQJQIJUIEHLD-UHFFFAOYSA-N
Instrument Name Varian XL-100
Literature Reference M. Sainsbury, N.L. Uttley, J. Chem. Soc. Perkin I 2416 (1976).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CF3COOH