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6,7,8,9,10,11,12,13,19,20,21,22-Dodecahydro-5H-dibenzo-[B,M]--[1,15,5,8,11]-dioxa-triaza-cyclononadecine-water(3:2)
SpectraBase Compound ID 3w7hNuAmf7Z
InChI InChI=1S/C22H31N3O2/c1-3-9-21-19(7-1)17-24-13-11-23-12-14-25-18-20-8-2-4-10-22(20)27-16-6-5-15-26-21/h1-4,7-10,23-25H,5-6,11-18H2
InChIKey VHICLYFVXBOYDH-UHFFFAOYSA-N
Mol Weight 369.51 g/mol
Molecular Formula C22H31N3O2
Exact Mass 369.241627 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HmJHDuCr2To
Name 6,7,8,9,10,11,12,13,19,20,21,22-Dodecahydro-5H-dibenzo-[B,M]--[1,15,5,8,11]-dioxa-triaza-cyclononadecine-water(3:2)
CAS Registry Number 115261-54-6
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C22H31N3O2
InChI InChI=1S/C22H31N3O2/c1-3-9-21-19(7-1)17-24-13-11-23-12-14-25-18-20-8-2-4-10-22(20)27-16-6-5-15-26-21/h1-4,7-10,23-25H,5-6,11-18H2
InChIKey VHICLYFVXBOYDH-UHFFFAOYSA-N
Instrument Name SF = 300 MHz
Literature Reference Austr. J. Chem. 40, 1861 (1987).
NMR Standard not reported
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3