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Barium Silicide (Basi2)
CAS: 1304-40-1 | BaSi2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1304-40-1
Molecular Formula:
BaSi2
Molecular Mass:
193.50 g/mol
Names and Synonyms:
Barium Silicide (Basi2)
Barium silicide (BaSi2)
Barium disilicide
Barium silicide (Ba2Si4)
Identifiers:
SMILES:
[Ba].[Si].[Si]
InChI:
InChI=1S/Ba.2Si
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 | 193.50 g/mol | CAS Common Chemistry |
| 193.5 g/mol | RDKit | |
| 193.85910026 g/mol | RDKit | |
| Canonical SMILES | [Si]#[Ba]#[Si] | CAS Common Chemistry |
| InChI | InChI=1S/Ba.2Si | CAS Common Chemistry |
| InChI Key | InChIKey=LRWFHMQRFHXGKQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Barium silicide (BaSi2) | 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 | 0.0 Ų | RDKit |
| LogP | -1.1424 | RDKit |
| Molar Refractivity | 17.262 | RDKit |
