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Barium Niobium Oxide (Banb2O6)
CAS: 12009-14-2 | BaNbO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
12009-14-2
Molecular Formula:
BaNbO
Molecular Mass:
246.23 g/mol
Names and Synonyms:
Barium Niobium Oxide (Banb2O6)
Barium niobium oxide (BaNb2O6)
Niobate (NbO31-), barium (2:1)
Barium niobate(V) (BaNb2O6)
Niobium barium oxide (Nb2BaO6)
Barium metaniobate (BaNb2O6)
Barium niobate (BaNb2O6)
Barium niobate (Ba(NbO3)2)
Identifiers:
SMILES:
[Ba].[Nb].[O]
InChI:
InChI=1S/Ba.Nb.O
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 246.23 g/mol | CAS Common Chemistry |
| 246.233 g/mol | RDKit | |
| 246.80653992 g/mol | RDKit | |
| Canonical SMILES | [O].[Nb].[Ba] | CAS Common Chemistry |
| InChI | InChI=1S/Ba.Nb.O | CAS Common Chemistry |
| InChI Key | InChIKey=SCWRNQAEJRCWAI-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Barium niobium oxide (BaNb2O6) | CAS Common Chemistry |
| Heavy Atom Count | 3 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 28.5 Ų | RDKit |
| LogP | -0.5021 | RDKit |
| Molar Refractivity | 6.440499999999999 | RDKit |
