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11-Hydroxy-7,7-bis(benzenesulfonyl)-9-hexadecenecarboxylicacid, 16-lactone

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11-Hydroxy-7,7-bis(benzenesulfonyl)-9-hexadecenecarboxylicacid, 16-lactone
SpectraBase Compound ID 2kIOCESMTXN
InChI InChI=1S/C28H36O7S2/c29-24-14-5-4-12-23-35-27(30)20-10-3-11-21-28(22-13-15-24,36(31,32)25-16-6-1-7-17-25)37(33,34)26-18-8-2-9-19-26/h1-2,6-9,13,15-19,24,29H,3-5,10-12,14,20-23H2/b15-13+
InChIKey PTNHDBSVBGSJJZ-FYWRMAATSA-N
Mol Weight 548.7 g/mol
Molecular Formula C28H36O7S2
Exact Mass 548.190246 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID I4VMkTN6Apb
Name 11-Hydroxy-7,7-bis(benzenesulfonyl)-9-hexadecenecarboxylicacid, 16-lactone
CAS Registry Number 86471-70-7
Comments reassigned
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C28H36O7S2
InChI InChI=1S/C28H36O7S2/c29-24-14-5-4-12-23-35-27(30)20-10-3-11-21-28(22-13-15-24,36(31,32)25-16-6-1-7-17-25)37(33,34)26-18-8-2-9-19-26/h1-2,6-9,13,15-19,24,29H,3-5,10-12,14,20-23H2/b15-13+
InChIKey PTNHDBSVBGSJJZ-FYWRMAATSA-N
Literature Reference B.M. Trost, R.W. Warner, J. Am. Chem. Soc. 105, 5940 (1983).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3