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Brucine cation

View entire compound with spectra: 4 NMR

Brucine cation
SpectraBase Compound ID 31paaDybkHt
InChI InChI=1S/C23H26N2O4/c1-27-16-8-14-15(9-17(16)28-2)25-20(26)10-18-21-13-7-19-23(14,22(21)25)4-5-24(19)11-12(13)3-6-29-18/h3,8-9,13,18-19,21-22H,4-7,10-11H2,1-2H3/p+1
InChIKey RRKTZKIUPZVBMF-UHFFFAOYSA-O
Mol Weight 395.48 g/mol
Molecular Formula C23H27N2O4
Exact Mass 395.197082 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1dfB8QgBPjq
Name Brucine cation
CAS Registry Number 4845-99-2
Comments hydrochloride
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C23H27N2O4
InChI InChI=1S/C23H26N2O4/c1-27-16-8-14-15(9-17(16)28-2)25-20(26)10-18-21-13-7-19-23(14,22(21)25)4-5-24(19)11-12(13)3-6-29-18/h3,8-9,13,18-19,21-22H,4-7,10-11H2,1-2H3/p+1
InChIKey RRKTZKIUPZVBMF-UHFFFAOYSA-O
Literature Reference E. Wenkert, H.T.A. Cheung, H.E. Gottlieb, J. Org. Chem. 43, 1099 (1978).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6