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1-AMINO-1,10-PHENANTHROLINIUM_MESTIYLENESULFONATE
SpectraBase Compound ID FtwFnmaDlhI
InChI InChI=1S/C12H10N3.C9H12O3S/c13-15-8-2-4-10-6-5-9-3-1-7-14-11(9)12(10)15;1-6-4-7(2)9(8(3)5-6)13(10,11)12/h1-8H,13H2;4-5H,1-3H3,(H,10,11,12)/q+1;/p-1
InChIKey UMCMLAXHRSDQHR-UHFFFAOYSA-M
Mol Weight 395.48 g/mol
Molecular Formula C21H21N3O3S
Exact Mass 395.130363 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JdRLsAfYzRf
Name 1-AMINO-1,10-PHENANTHROLINIUM_MESTIYLENESULFONATE
Compound Number I
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H21N3O3S
InChI InChI=1S/C12H10N3.C9H12O3S/c13-15-8-2-4-10-6-5-9-3-1-7-14-11(9)12(10)15;1-6-4-7(2)9(8(3)5-6)13(10,11)12/h1-8H,13H2;4-5H,1-3H3,(H,10,11,12)/q+1;/p-1
InChIKey UMCMLAXHRSDQHR-UHFFFAOYSA-M
Literature Reference Author R.V.ANDREEV,G.I.BORODKIN,Y.V.GATILOV,M.M.SHAKIROV,V.G.SHUBIN
Literature Reference Citation RUSS.J.ORG.CHEM.,40,567(2004)
Literature Reference DOI 10.1023/B:RUJO.0000036081.51473.c0
Molecular Weight 395.476 g/mol
Solvent DMSO-D6
Source File Reference UWMZ16345