Molecule:100693: Difference between revisions

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molecule
(auto-generated)
(auto-generated)
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{{Molecule
{{Molecule
|abbrev=Mn(phdk)(CO)3(MeCN)
|abbrev=Mn(phdk)(CO)3(MeCN)
|moleculeKey=YEWOWPOKKZXMQA-UHFFFAOYSA-N
|moleculeKey=OYUJSMZZRTUSDV-UHFFFAOYSA-N
|molOrRxn=
|molOrRxn=
   -INDIGO-02132316072D
   -INDIGO-01102415462D


   0  0  0  0  0  0  0  0  0  0  0 V3000
   0  0  0  0  0  0  0  0  0  0  0 V3000
Line 27: Line 27:
M  V30 17 Mn 8.75 -4.975 0.0 0 CHG=1
M  V30 17 Mn 8.75 -4.975 0.0 0 CHG=1
M  V30 18 N 10.8 -4.975 0.0 0
M  V30 18 N 10.8 -4.975 0.0 0
M  V30 19 C 7.76789 -5.55711 0.0 0
M  V30 19 C 7.76789 -5.55711 0.0 0 CHG=-1
M  V30 20 C 9.78211 -5.53211 0.0 0
M  V30 20 C 9.78211 -5.53211 0.0 0 CHG=-1
M  V30 21 C 8.75 -5.975 0.0 0
M  V30 21 C 8.75 -5.975 0.0 0 CHG=-1
M  V30 22 O 6.90187 -6.05711 0.0 0
M  V30 22 O 6.90187 -6.05711 0.0 0 CHG=1
M  V30 23 O 8.75 -6.975 0.0 0
M  V30 23 O 8.75 -6.975 0.0 0 CHG=1
M  V30 24 O 10.6481 -6.03211 0.0 0
M  V30 24 O 10.6481 -6.03211 0.0 0 CHG=1
M  V30 25 C 11.5909 -4.96618 0.0 0
M  V30 25 C 11.5909 -4.96618 0.0 0
M  V30 26 C 12.3319 -4.95736 0.0 0
M  V30 26 C 12.3319 -4.95736 0.0 0
Line 69: Line 69:
M  V30 END CTAB
M  V30 END CTAB
M  END
M  END
|smiles=C12N3[Mn+](C#O)(C#O)(C#O)(N#CC)N4=CC=CC(C(=O)C(=O)C=1C=CC=3)=C24
 
|inchi=1S/C12H6N2O2.C2H3N.3CHO.Mn/c15-11-7-3-1-5-13-9(7)10-8(12(11)16)4-2-6-14-10;1-2-3;3*1-2;/h1-6H;1H3;3*1H;/q;;;;;+1
|smiles=C12N3[Mn+]([C-]#[O+])([C-]#[O+])([C-]#[O+])(N#CC)N4=CC=CC(C(=O)C(=O)C=1C=CC=3)=C24
|inchikey=YEWOWPOKKZXMQA-UHFFFAOYSA-N
|inchi=1S/C12H6N2O2.C2H3N.3CO.Mn/c15-11-7-3-1-5-13-9(7)10-8(12(11)16)4-2-6-14-10;1-2-3;3*1-2;/h1-6H;1H3;;;;/q;;;;;+1
|inchikey=OYUJSMZZRTUSDV-UHFFFAOYSA-N
|width=300px
|width=300px
|height=200px
|height=200px

Revision as of 16:47, 10 January 2024

Properties
CID n/a
CAS n/a
IUPAC-Name n/a
Abbreviation Mn(phdk)(CO)3(MeCN)
Trivialname n/a
Exact mass 393.01519200409
Molecular formula C17H12MnN3O5+
LogP n/a
Has vendors n/a
Molecular role n/a
Synonyms n/a


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Molecule is used on following pages

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Molecule roles

Investigation type Catalyst
Photocatalytic CO2 conversion experiments
Cyclic Voltammetry experiments
Absorption Emission Spectroscopy experiments
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