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IJNRBUDHIHKNCO-UHFFFAOYSA-N
SpectraBase Compound ID rRYOX67UV9
InChI InChI=1S/C27H36O7S/c1-20-24(30-18-21-12-6-3-7-13-21)25(31-19-22-14-8-4-9-15-22)26(34-35(2,28)29)27(32-20)33-23-16-10-5-11-17-23/h3-4,6-9,12-15,20,23-27H,5,10-11,16-19H2,1-2H3
InChIKey IJNRBUDHIHKNCO-UHFFFAOYSA-N
Mol Weight 504.6 g/mol
Molecular Formula C27H36O7S
Exact Mass 504.218175 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1UMaAXFMhRo
Name
CAS Registry Number 76251-66-6
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C27H36O7S
InChI InChI=1S/C27H36O7S/c1-20-24(30-18-21-12-6-3-7-13-21)25(31-19-22-14-8-4-9-15-22)26(34-35(2,28)29)27(32-20)33-23-16-10-5-11-17-23/h3-4,6-9,12-15,20,23-27H,5,10-11,16-19H2,1-2H3
InChIKey IJNRBUDHIHKNCO-UHFFFAOYSA-N
Instrument Name SF = 100 MHz
Literature Reference J. Org. Chem. 46, 1121 (1981).
NMR Standard not reported
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent D2O