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Neocuproine hydrate

View entire compound with spectra: 2 NMR, 2 FTIR, and 1 Raman

Neocuproine hydrate
SpectraBase Compound ID 2wbScGFbG71
InChI InChI=1S/C14H12N2.H2O/c1-9-3-5-11-7-8-12-6-4-10(2)16-14(12)13(11)15-9;/h3-8H,1-2H3;1H2
InChIKey MFZBSWSCIWCRKS-UHFFFAOYSA-N
Mol Weight 226.28 g/mol
Molecular Formula C14H14N2O
Exact Mass 226.110613 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9TbBzVwsaxS
Name Neocuproine hydrate
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 121908
CAS Registry Number 654054-57-6
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H14N2O
InChI InChI=1S/C14H12N2.H2O/c1-9-3-5-11-7-8-12-6-4-10(2)16-14(12)13(11)15-9;/h3-8H,1-2H3;1H2
InChIKey MFZBSWSCIWCRKS-UHFFFAOYSA-N
Observed nucleus 13C
Purity 99%
Solvent DMSO-d6
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms 2,9-Dimethyl-1,10-phenanthroline hydrate
Wiley ID SIAL_13CNMR_000574