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2-[(2-Tosyl-1,2,3,4-tetrahydroisoquinolin-3-yl)methyl]succinonitrile
SpectraBase Compound ID HJma6AfQ1hH
InChI InChI=1S/C21H21N3O2S/c1-16-6-8-21(9-7-16)27(25,26)24-15-19-5-3-2-4-18(19)13-20(24)12-17(14-23)10-11-22/h2-9,17,20H,10,12-13,15H2,1H3
InChIKey ALQIZKIUURFGFC-UHFFFAOYSA-N
Mol Weight 379.48 g/mol
Molecular Formula C21H21N3O2S
Exact Mass 379.135448 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4jZyRMeVKy0
Name 2-[(2-Tosyl-1,2,3,4-tetrahydroisoquinolin-3-yl)methyl]succinonitrile
Alternate Name(s) 2-((2-tosyl-1,2,3,4-tetrahydroisoquinolin-3-yl)methyl)succinonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H21N3O2S
InChI InChI=1S/C21H21N3O2S/c1-16-6-8-21(9-7-16)27(25,26)24-15-19-5-3-2-4-18(19)13-20(24)12-17(14-23)10-11-22/h2-9,17,20H,10,12-13,15H2,1H3
InChIKey ALQIZKIUURFGFC-UHFFFAOYSA-N
Molecular Weight 379.478 g/mol
SMILES C1(N(S(c2ccc(cc2)C)(=O)=O)Cc2c(C1)cccc2)CC(C#N)CC#N
SPLASH splash10-00di-2490000000-c3db965f7b95e1f81347
Source of Spectrum U1-2013-4868-14f
Wiley ID 1736027