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METACHROMIN-S

View entire compound with spectra: 1 NMR

METACHROMIN-S
SpectraBase Compound ID Hn2m78AjZdO
InChI InChI=1S/C26H39NO3/c1-17(2)12-15-27-22-16-23(28)25(30)21(24(22)29)10-9-18(3)11-14-26(6)13-7-8-19(4)20(26)5/h8-9,16-17,20,27,30H,7,10-15H2,1-6H3/b18-9+/t20-,26-/m1/s1
InChIKey YBVKKXUZRPNHQO-JEJCENLRSA-N
Mol Weight 413.6 g/mol
Molecular Formula C26H39NO3
Exact Mass 413.292994 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3GnfvFAzIjE
Name METACHROMIN-S
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H39NO3
InChI InChI=1S/C26H39NO3/c1-17(2)12-15-27-22-16-23(28)25(30)21(24(22)29)10-9-18(3)11-14-26(6)13-7-8-19(4)20(26)5/h8-9,16-17,20,27,30H,7,10-15H2,1-6H3/b18-9+/t20-,26-/m1/s1
InChIKey YBVKKXUZRPNHQO-JEJCENLRSA-N
Literature Reference Author Y.TAKAHASHI,M.YAMADA,T.KUBOTA,J.FROMONT,J.I.KOBAYASHI
Literature Reference Citation CHEM.PHARM.BULL.,55,1731(2007)
Literature Reference DOI 10.1248/cpb.55.1731
Molecular Weight 413.601 g/mol
Sample ID 56043
Solvent CDCl3