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1,8-DI-O-HEXYL-15-IODO-CHRYSOPHANOL
SpectraBase Compound ID 2SqbHaqcD4k
InChI InChI=1S/C27H33IO4/c1-3-5-7-9-14-31-22-13-11-12-20-24(22)27(30)25-21(26(20)29)16-19(18-28)17-23(25)32-15-10-8-6-4-2/h11-13,16-17H,3-10,14-15,18H2,1-2H3
InChIKey IZINBISMGNIPBU-UHFFFAOYSA-N
Mol Weight 548.5 g/mol
Molecular Formula C27H33IO4
Exact Mass 548.142355 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LTeYduxb1by
Name 1,8-DI-O-HEXYL-15-IODO-CHRYSOPHANOL
Compound Number 15
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H33IO4
InChI InChI=1S/C27H33IO4/c1-3-5-7-9-14-31-22-13-11-12-20-24(22)27(30)25-21(26(20)29)16-19(18-28)17-23(25)32-15-10-8-6-4-2/h11-13,16-17H,3-10,14-15,18H2,1-2H3
InChIKey IZINBISMGNIPBU-UHFFFAOYSA-N
Literature Reference Author X.R.CUI,K.TAKAHASHI,T.SHIMAMURA,J.KOYANAGI,F.KOMADA,S.SAITO
Literature Reference Citation CHEM.PHARM.BULL.,56,497(2008)
Literature Reference DOI 10.1248/cpb.56.497
Molecular Weight 548.461 g/mol
Sample ID 1506
Solvent CDCl3