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2-Sulfo-1,3-xylyl-21-crown-6

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2-Sulfo-1,3-xylyl-21-crown-6
SpectraBase Compound ID FRTZWMVq225
InChI InChI=1S/C18H28O9S/c19-28(20,21)18-16-2-1-3-17(18)15-27-13-11-25-9-7-23-5-4-22-6-8-24-10-12-26-14-16/h1-3H,4-15H2,(H,19,20,21)
InChIKey IUUSVZCINHGECM-UHFFFAOYSA-N
Mol Weight 420.47 g/mol
Molecular Formula C18H28O9S
Exact Mass 420.145404 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IvRTMFzqCjR
Name 2-Sulfo-1,3-xylyl-21-crown-6
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C18H28O9S
InChI InChI=1S/C18H28O9S/c19-28(20,21)18-16-2-1-3-17(18)15-27-13-11-25-9-7-23-5-4-22-6-8-24-10-12-26-14-16/h1-3H,4-15H2,(H,19,20,21)
InChIKey IUUSVZCINHGECM-UHFFFAOYSA-N
Instrument Name SF = 200 MHz
Literature Reference J. Van Eerden, M. Skowronska-Ptasinska, J. Am. Chem. Soc. 111, 700 (1989).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3