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NMSSMWBDCYDFLD-UHFFFAOYSA-N

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NMSSMWBDCYDFLD-UHFFFAOYSA-N
SpectraBase Compound ID 5FYKaPW0CYq
InChI InChI=1S/C40H52O2S/c41-43(42)40(30-19-11-4-12-20-30)26-36(29-17-9-3-10-18-29)33-22-21-31-34(27-13-5-1-6-14-27)25-35(28-15-7-2-8-16-28)32-23-24-37(40)39(33)38(31)32/h21-25,27-30H,1-20,26H2,(H,41,42)
InChIKey NMSSMWBDCYDFLD-UHFFFAOYSA-N
Mol Weight 596.9 g/mol
Molecular Formula C40H52O2S
Exact Mass 596.368802 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9EiGbbCBOTG
Name NMSSMWBDCYDFLD-UHFFFAOYSA-N
CAS Registry Number 159768-18-0
Compound Number 2SO2H(+)
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C40H52O2S
InChI InChI=1S/C40H52O2S/c41-43(42)40(30-19-11-4-12-20-30)26-36(29-17-9-3-10-18-29)33-22-21-31-34(27-13-5-1-6-14-27)25-35(28-15-7-2-8-16-28)32-23-24-37(40)39(33)38(31)32/h21-25,27-30H,1-20,26H2,(H,41,42)
InChIKey NMSSMWBDCYDFLD-UHFFFAOYSA-N
Literature Reference Author K.K.LAALI,P.E.HANSEN
Literature Reference Citation J.CHEM.SOC.PERKIN-2,2249(1994)
Literature Reference DOI 10.1039/p29940002249
Molecular Weight 596.912 g/mol
Solvent Unknown