3H-benz[de]isoquinolinium p-tolueneesulfonate

SpectraBase Compound ID	4ReNWd6aIIB
InChI	InChI=1S/C12H9N.C7H8O3S/c1-3-9-4-2-6-11-8-13-7-10(5-1)12(9)11;1-6-2-4-7(5-3-6)11(8,9)10/h1-7H,8H2;2-5H,1H3,(H,8,9,10)
InChIKey	DKYIBVBONAUPGW-UHFFFAOYSA-N Google Search
Mol Weight	339.41 g/mol
Molecular Formula	C19H17NO3S
Exact Mass	339.092915 g/mol

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SpectraBase Spectrum ID	6wa6yBtas7r
Name	3H-benz[de]isoquinolinium p-tolueneesulfonate
Alternate Name(s)	1H-benzo[de]isoquinolinium 4-methylbenzenesulfonate
Comments	Less than 3 mono-isotopic peaks
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C19H17NO3S
InChI	InChI=1S/C12H9N.C7H8O3S/c1-3-9-4-2-6-11-8-13-7-10(5-1)12(9)11;1-6-2-4-7(5-3-6)11(8,9)10/h1-7H,8H2;2-5H,1H3,(H,8,9,10)
InChIKey	DKYIBVBONAUPGW-UHFFFAOYSA-N
Molecular Weight	339.409 g/mol
SMILES	[NH+]=1Cc2c3c(cccc3C1)ccc2.c1(S([O-])(=O)=O)ccc(C)cc1
SPLASH	splash10-00xr-0900000000-6c1d7bc2b46e36c06866
Source of Spectrum	F-50-7500-9
Wiley ID	1334479