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3-(2-AMINOETHYL)INDOL-5-OL, COMPOUND WITH CREATININE

View entire compound with spectra: 1 NMR

3-(2-AMINOETHYL)INDOL-5-OL, COMPOUND WITH CREATININE
SpectraBase Compound ID H3RgbGAkNoK
InChI InChI=1S/2C10H12N2O.2C4H7N3O.3Na.2H2O4S.2H2O/c2*11-4-3-7-6-12-10-2-1-8(13)5-9(7)10;2*1-7-2-3(8)6-4(7)5;;;;2*1-5(2,3)4;;/h2*1-2,5-6,12-13H,3-4,11H2;2*2H2,1H3,(H2,5,6,8);;;;2*(H2,1,2,3,4);2*1H2/q;;;;3*+1;;;;/p-5
InChIKey ZCEBWRGUOKISNU-UHFFFAOYSA-I
Mol Weight 874.78130785 g/mol
Molecular Formula C28H41N10Na3O14S2
Exact Mass 874.193821 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AneDKSWcGc8
Name 3-(2-AMINOETHYL)INDOL-5-OL, COMPOUND WITH CREATININE
Source of Sample Fluka AG, Buchs, Switzerland
Comments Impurities
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H12N2O C4H7N3O H2SO4 H2O
InChI InChI=1S/2C10H12N2O.2C4H7N3O.3Na.2H2O4S.2H2O/c2*11-4-3-7-6-12-10-2-1-8(13)5-9(7)10;2*1-7-2-3(8)6-4(7)5;;;;2*1-5(2,3)4;;/h2*1-2,5-6,12-13H,3-4,11H2;2*2H2,1H3,(H2,5,6,8);;;;2*(H2,1,2,3,4);2*1H2/q;;;;3*+1;;;;/p-5
InChIKey ZCEBWRGUOKISNU-UHFFFAOYSA-I
Melting Point 220C (dec.)
Molecular Weight 405.43
Solvent Deuterium oxide/NaOD; Reference=Dioxane Spectrometer= Varian CFT-20