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2-Sulfo-1,3-xylyl-30-crown-9

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2-Sulfo-1,3-xylyl-30-crown-9
SpectraBase Compound ID 9Tfh1TDm75D
InChI InChI=1S/C24H40O12S/c25-37(26,27)24-22-2-1-3-23(24)21-36-19-17-34-15-13-32-11-9-30-7-5-28-4-6-29-8-10-31-12-14-33-16-18-35-20-22/h1-3H,4-21H2,(H,25,26,27)
InChIKey TUWHEYZFGCBMKU-UHFFFAOYSA-N
Mol Weight 552.6 g/mol
Molecular Formula C24H40O12S
Exact Mass 552.224048 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BNj9bsMWQrK
Name 2-Sulfo-1,3-xylyl-30-crown-9
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C24H40O12S
InChI InChI=1S/C24H40O12S/c25-37(26,27)24-22-2-1-3-23(24)21-36-19-17-34-15-13-32-11-9-30-7-5-28-4-6-29-8-10-31-12-14-33-16-18-35-20-22/h1-3H,4-21H2,(H,25,26,27)
InChIKey TUWHEYZFGCBMKU-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