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6,7,8,9,12,13,14,15,21,22-Decahydro-5H,11H-dibenzo-[E,R]-[1,4,12,8,16]-dioxa-thiadiaza-cyclononadecine-water(4:1)
SpectraBase Compound ID B1CdyquGixu
InChI InChI=1S/C22H30N2O2S/c1-3-9-21-19(7-1)17-23-11-5-15-27-16-6-12-24-18-20-8-2-4-10-22(20)26-14-13-25-21/h1-4,7-10,23-24H,5-6,11-18H2
InChIKey HGNWPMXFPFAAHA-UHFFFAOYSA-N
Mol Weight 386.55 g/mol
Molecular Formula C22H30N2O2S
Exact Mass 386.202799 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CmXOZGpA71U
Name 6,7,8,9,12,13,14,15,21,22-Decahydro-5H,11H-dibenzo-[E,R]-[1,4,12,8,16]-dioxa-thiadiaza-cyclononadecine-water(4:1)
CAS Registry Number 115261-53-5
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C22H30N2O2S
InChI InChI=1S/C22H30N2O2S/c1-3-9-21-19(7-1)17-23-11-5-15-27-16-6-12-24-18-20-8-2-4-10-22(20)26-14-13-25-21/h1-4,7-10,23-24H,5-6,11-18H2
InChIKey HGNWPMXFPFAAHA-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