3,4-dihdyro-1-[p-(isopropylsulfonyl)phenyl]-6,7-isoquinolinediol, hydrobromide

SpectraBase Compound ID	GeDLZ92OgEv
InChI	InChI=1S/C18H19NO4S.BrH/c1-11(2)24(22,23)14-5-3-12(4-6-14)18-15-10-17(21)16(20)9-13(15)7-8-19-18;/h3-6,9-11,20-21H,7-8H2,1-2H3;1H
InChIKey	HQGVXPSXRFLOEH-UHFFFAOYSA-N Google Search
Mol Weight	426.33 g/mol
Molecular Formula	C18H20BrNO4S
Exact Mass	425.029642 g/mol

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SpectraBase Spectrum ID	H2IA7EOf3aD
Name	3,4-DIHYDRO-1-[p-(ISOPROPYLSULFONYL)PHENYL]-6,7-ISOQUINOLINEDIOL, HYDROBROMIDE
Source of Sample	M. S. CHODNEKAR, F. HOFFMANN-LA ROCHE & COMPANY LTD., BASEL, SWITZERLAND
Copyright	Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C18H20BrNO4S
InChI	InChI=1S/C18H19NO4S.BrH/c1-11(2)24(22,23)14-5-3-12(4-6-14)18-15-10-17(21)16(20)9-13(15)7-8-19-18;/h3-6,9-11,20-21H,7-8H2,1-2H3;1H
InChIKey	HQGVXPSXRFLOEH-UHFFFAOYSA-N
Literature Reference	JMCH 11, 1023(1968)
Melting Point	320-323C (dec.)
Molecular Weight	426.330994
Synonyms	6,7-ISOQUINOLINEDIOL, 3,4-DIHYDRO-1-/P- /ISOPROPYLSULFONYL/PHENYL/-, HYDRO- BROMIDE
Technique	KBr WAFER