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Thebaine

View entire compound with spectra: 10 NMR, 3 FTIR, 1 Raman, and 9 MS (GC)

Thebaine
SpectraBase Compound ID Cdxzh4df9we
InChI InChI=1S/C19H21NO3/c1-20-9-8-19-12-5-7-15(22-3)18(19)23-17-14(21-2)6-4-11(16(17)19)10-13(12)20/h4-7,13,18H,8-10H2,1-3H3/t13-,18+,19+/m1/s1
InChIKey FQXXSQDCDRQNQE-VMDGZTHMSA-N
Mol Weight 311.38 g/mol
Molecular Formula C19H21NO3
Exact Mass 311.152144 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HPLDLRqI6Xm
Name
CAS Registry Number 115-37-7
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C19H21NO3
InChI InChI=1S/C19H21NO3/c1-20-9-8-19-12-5-7-15(22-3)18(19)23-17-14(21-2)6-4-11(16(17)19)10-13(12)20/h4-7,13,18H,8-10H2,1-3H3/t13-,18+,19+/m1/s1
InChIKey FQXXSQDCDRQNQE-VMDGZTHMSA-N
Instrument Name Jeol PS-100
Literature Reference F.I. Carroll, C.G. Moreland, G.A.Brine, J. Org. Chem. 41, 996 (1976).
NMR Standard CDCl3
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3