PHEANTHARIN CHLORIDE, PENTAHYDRATE

SpectraBase Compound ID	3cqzLgSxxyp
InChI	InChI=1S/C38H36N2O6.2ClH.5H2O/c1-39-15-13-25-20-32(42-4)34-22-28(25)29(39)17-23-7-10-27(11-8-23)45-33-19-24(9-12-31(33)41-3)18-30-36-26(14-16-40(30)2)21-35(43-5)37(44-6)38(36)46-34;;;;;;;/h7-16,19-22H,17-18H2,1-6H3;21H;51H2/q+2;;;;;;;/p-2
InChIKey	HOCGGEGDLXNAAN-UHFFFAOYSA-L Google Search
Mol Weight	777.695 g/mol
Molecular Formula	C38H46Cl2N2O11
Exact Mass	776.247866 g/mol

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SpectraBase Spectrum ID	lgkwNPh1Hs
Name	PHEANTHARIN CHLORIDE, PENTAHYDRATE
Source of Sample	J. Knabe, Technische Hochschule, Brunswick, Germany
Copyright	Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C38H46Cl2N2O11
InChI	InChI=1S/C38H36N2O6.2ClH.5H2O/c1-39-15-13-25-20-32(42-4)34-22-28(25)29(39)17-23-7-10-27(11-8-23)45-33-19-24(9-12-31(33)41-3)18-30-36-26(14-16-40(30)2)21-35(43-5)37(44-6)38(36)46-34;;;;;;;/h7-16,19-22H,17-18H2,1-6H3;21H;51H2/q+2;;;;;;;/p-2
InChIKey	HOCGGEGDLXNAAN-UHFFFAOYSA-L
Literature Reference	CHBE 91, 1612(1958)
Melting Point	215C
Molecular Weight	777.689026
Synonyms	- DIBENZO/BC,OPQ//1,9/DIOXACYCLOOCTA- DECINO/6,7,8-IJ 10,11,12,13-HPRIPRJPR/- DIISOQUINOLINIUM CHLORIDE, 2H,13H-, DI- METHYL-9,20,21,25-TETRAMETHOXY-, /HYD/ PHEANTHARINE CHLORIDE, PENTAHYDRATE
Technique	KBr WAFER