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2-Sulfo-1,3-xylyl-33-crown-10

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2-Sulfo-1,3-xylyl-33-crown-10
SpectraBase Compound ID LNdCkiwD43t
InChI InChI=1S/C26H44O13S/c27-40(28,29)26-24-2-1-3-25(26)23-39-21-19-37-17-15-35-13-11-33-9-7-31-5-4-30-6-8-32-10-12-34-14-16-36-18-20-38-22-24/h1-3H,4-23H2,(H,27,28,29)
InChIKey BLZLGQHWEOSDEO-UHFFFAOYSA-N
Mol Weight 596.7 g/mol
Molecular Formula C26H44O13S
Exact Mass 596.250263 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6qrCcg9M4rI
Name 2-Sulfo-1,3-xylyl-33-crown-10
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C26H44O13S
InChI InChI=1S/C26H44O13S/c27-40(28,29)26-24-2-1-3-25(26)23-39-21-19-37-17-15-35-13-11-33-9-7-31-5-4-30-6-8-32-10-12-34-14-16-36-18-20-38-22-24/h1-3H,4-23H2,(H,27,28,29)
InChIKey BLZLGQHWEOSDEO-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