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1-(2-[4-Bromomethyl-dioxol-2-yl]-ethyl)-3,4-dicarbomethoxy-1,8-dihydro-azocine

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1-(2-[4-Bromomethyl-dioxol-2-yl]-ethyl)-3,4-dicarbomethoxy-1,8-dihydro-azocine
SpectraBase Compound ID CyXAygmzTxI
InChI InChI=1S/C17H22BrNO6/c1-22-16(20)13-5-3-4-7-19(10-14(13)17(21)23-2)8-6-15-24-11-12(9-18)25-15/h3-5,10,12,15H,6-9,11H2,1-2H3/b4-3-,13-5+,14-10+
InChIKey MKWSLWJXUQNKHI-OOGHESMHSA-N
Mol Weight 416.27 g/mol
Molecular Formula C17H22BrNO6
Exact Mass 415.06305 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8942W5nPraF
Name 1-(2-[4-Bromomethyl-dioxol-2-yl]-ethyl)-3,4-dicarbomethoxy-1,8-dihydro-azocine
CAS Registry Number 62562-97-4
Comments MIXTURE OF DIASTEREOMERS 2ND COMPOUND C12: 68.8, C11: 75.3 OR 74.8, C10: 102.2 PPM
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C17H22BrNO6
InChI InChI=1S/C17H22BrNO6/c1-22-16(20)13-5-3-4-7-19(10-14(13)17(21)23-2)8-6-15-24-11-12(9-18)25-15/h3-5,10,12,15H,6-9,11H2,1-2H3/b4-3-,13-5+,14-10+
InChIKey MKWSLWJXUQNKHI-OOGHESMHSA-N
Instrument Name Jeol PS-100
Literature Reference P.S. Mariano, M.E. Osborn, J. Org. Chem. 42, 2903 (1977).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3