Neocuproine

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Systematic / IUPAC Name: 2,9-Dimethyl-1,10-phenanthroline

ID: Reference3458

Other Names: Neocuproin;
1,10-Phenanthroline, 2,9-dimethyl-;
2,9-Dimethyl-1,10-phenanthrolinehemihydrate;
2,9-Dimethyl-o-phenanthroline;
2,9-Dimethylphenanthroline

Formula: C14H12N2

Class: Endogenous Metabolites

Spectral Data

Neocuproine mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Elite
No. of Spectral Trees 1
No. of Spectra 172
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers IT; FT
Last Modification 12/2/2015 9:40:34 AM
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Identificators

InChI InChI=1S/C14H12N2/c1-9-3-5-11-7-8-12-6-4-10(2)16-14(12)13(11)15-9/h3-8H,1-2H3
InChI Key IYRGXJIJGHOCFS-UHFFFAOYSA-N
Canonical SMILES CC1=NC2=C(C=C1)C=CC3=C2N=C(C=C3)C
CAS 484117
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Other Names Neocuproin;
1,10-Phenanthroline, 2,9-dimethyl-;
2,9-Dimethyl-1,10-phenanthrolinehemihydrate;
2,9-Dimethyl-o-phenanthroline;
2,9-Dimethylphenanthroline;
2,9-Dimethylpyridino[3,2-H]quinoline

In Other Databases

ChemIDPlus 000484117
PubChem 65237
ChemSpider 58734
Wikipedia Neocuproine