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Neodymium Iodide (Ndi3)
CAS: 13813-24-6 | I3Nd
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
13813-24-6
Molecular Formula:
I3Nd
Molecular Mass:
524.95 g/mol
Names and Synonyms:
Neodymium Iodide (Ndi3)
Neodymium iodide (NdI3)
Neodymium triiodide
Neodymium iodide
Identifiers:
SMILES:
[I-].[I-].[I-].[Nd+3]
InChI:
InChI=1S/3HI.Nd/h3*1H;/q;;;+3/p-3
Key Properties
Melting Point
775 °C (decomp)
CAS Common Chemistry
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 | 524.95 g/mol | CAS Common Chemistry |
| 524.952 g/mol | RDKit | |
| 522.6211423000001 g/mol | RDKit | |
| Canonical SMILES | I[Nd](I)I | CAS Common Chemistry |
| InChI | InChI=1S/3HI.Nd/h3*1H;/q;;;+3/p-3 | CAS Common Chemistry |
| InChI Key | InChIKey=DKSXWSAKLYQPQE-UHFFFAOYSA-K | CAS Common Chemistry |
| Melting Point | 775 °C (decomp) | CAS Common Chemistry |
| Name | Neodymium iodide (NdI3) | CAS Common Chemistry |
| Heavy Atom Count | 4 | 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 | -8.988 | RDKit |
| Molar Refractivity | 0.0 | RDKit |
