spiro[5H-dibenzo[c,e]azepine-6(7H), 4'-morpholinium] p-toluenesulfonate, hydrate

SpectraBase Compound ID	B3hA5jDaIE
InChI	InChI=1S/C18H20NO.C7H8O3S.H2O/c1-3-7-17-15(5-1)13-19(9-11-20-12-10-19)14-16-6-2-4-8-18(16)17;1-6-2-4-7(5-3-6)11(8,9)10;/h1-8H,9-14H2;2-5H,1H3,(H,8,9,10);1H2/q+1;;/p-1
InChIKey	YYBZPWFNFUQPLA-UHFFFAOYSA-M Google Search
Mol Weight	455.569 g/mol
Molecular Formula	C25H29NO5S
Exact Mass	455.176644 g/mol

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SpectraBase Spectrum ID	DfRvX8Zsci
Name	SPIRO[5H-DIBENZO[c,e]AZEPINE-6(7H),4'-MORPHOLINIUM] p-TOLUENESULFONATE, HYDRATE
Source of Sample	N. B. Mehta, Burroughs Wellcome & Company, Inc., Tuckahoe, New York
Copyright	Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C25H29NO5S
InChI	InChI=1S/C18H20NO.C7H8O3S.H2O/c1-3-7-17-15(5-1)13-19(9-11-20-12-10-19)14-16-6-2-4-8-18(16)17;1-6-2-4-7(5-3-6)11(8,9)10;/h1-8H,9-14H2;2-5H,1H3,(H,8,9,10);1H2/q+1;;/p-1
InChIKey	YYBZPWFNFUQPLA-UHFFFAOYSA-M
Literature Reference	JOCE 28, 2843(1963)
Melting Point	224-225C
Molecular Weight	455.569000
Synonyms	SPIRO/5H-DIBENZO/C,E/AZEPINE- 6/7H/,4PR-MORPHOLINIUM/ P-TOLUENE- SULFONATE, HYDRATE
Technique	KBr WAFER