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9-Monodechloro-13-demethylisodysidenin

View entire compound with spectra: 2 NMR

9-Monodechloro-13-demethylisodysidenin
SpectraBase Compound ID 2rlJwBPVdp
InChI InChI=1S/C16H22Cl5N3O2S/c1-9(14(17)18)6-11(15(26)23-8-12-22-4-5-27-12)24(3)13(25)7-10(2)16(19,20)21/h4-5,9-11,14H,6-8H2,1-3H3,(H,23,26)
InChIKey FBFVDJXUTHNCJC-UHFFFAOYSA-N
Mol Weight 497.7 g/mol
Molecular Formula C16H22Cl5N3O2S
Exact Mass 494.987537 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2d9neSbHNgB
Name 9-Monodechloro-13-demethylisodysidenin
Comments BROAD-BAND DECOUPLING (BB) CDCL3/D2O
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C16H22Cl5N3O2S
InChI InChI=1S/C16H22Cl5N3O2S/c1-9(14(17)18)6-11(15(26)23-8-12-22-4-5-27-12)24(3)13(25)7-10(2)16(19,20)21/h4-5,9-11,14H,6-8H2,1-3H3,(H,23,26)
InChIKey FBFVDJXUTHNCJC-UHFFFAOYSA-N
Instrument Name SF = 060 MHz
Literature Reference Austr. J. Chem. 35, 31 (1982).
NMR Standard not reported
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3