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Brucine, dihydrate

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 UV-Vis

Brucine, dihydrate
SpectraBase Compound ID KjQhUBwldkb
InChI InChI=1S/C23H26N2O4.2H2O/c1-27-16-8-14-15(9-17(16)28-2)25-20(26)10-18-21-13-7-19-23(14,22(21)25)4-5-24(19)11-12(13)3-6-29-18;;/h3,8-9,13,18-19,21-22H,4-7,10-11H2,1-2H3;2*1H2/t13-,18-,19-,21-,22-,23+;;/m0../s1
InChIKey VWLBJWIPYIYRBM-FIMIILAWSA-N
Mol Weight 430.501 g/mol
Molecular Formula C23H30N2O6
Exact Mass 430.210387 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID BGuCM2HHOiY
Name BRUCINE, DIHYDRATE
Source of Sample Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
Catalog Number 14558
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H30N2O6
InChI InChI=1S/C23H26N2O4.2H2O/c1-27-16-8-14-15(9-17(16)28-2)25-20(26)10-18-21-13-7-19-23(14,22(21)25)4-5-24(19)11-12(13)3-6-29-18;;/h3,8-9,13,18-19,21-22H,4-7,10-11H2,1-2H3;2*1H2/t13-,18-,19-,21-,22-,23+;;/m0../s1
InChIKey VWLBJWIPYIYRBM-FIMIILAWSA-N
Melting Point 176-178C
Molecular Weight 430.501007
Optical Properties Optical Rotation= (20C) -79.3 DEG (c=1.3, ETHANOL)
Synonyms 4,6-METHANO-6H,14H-INDOLO/3,2,1-IJ/- OXEPINO/2,3,4-DE/PYRROLO/2,3-H/QUINOL- IN-14-ONE, 2,4A,5,5A,7,8,15,15A,15B,- 15C-DECAHYDRO-10,11-DIMETHOXY-, DI- HYDRATE
Technique KBr WAFER