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(Sp-4-2)-Carbonyl(2,4-Pentanedionato-Κo2,Κo4)(Triphenylphosphine)Rhodium
CAS: 25470-96-6 | C24H22O3PRh
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
25470-96-6
Molecular Formula:
C24H22O3PRh
Molecular Mass:
492.32 g/mol
Names and Synonyms:
(Sp-4-2)-Carbonyl(2,4-Pentanedionato-Κo2,Κo4)(Triphenylphosphine)Rhodium
Rhodium, carbonyl(2,4-pentanedionato-κO2,κO4)(triphenylphosphine)-, (SP-4-2)-
Rhodium, carbonyl(2,4-pentanedionato)(triphenylphosphine)-
Rhodium, carbonyl(2,4-pentanedionato-O,O′)(triphenylphosphine)-, (SP-4-2)-
Rhodium, (2,4-pentanedionato)carbonyl(triphenylphosphine)-
Rhodium, carbonyl(2,4-pentanedionato-κO,κO′)(triphenylphosphine)-, (SP-4-2)-
(SP-4-2)-Carbonyl(2,4-pentanedionato-κO2,κO4)(triphenylphosphine)rhodium
Carbonyl(2,4-pentanedionato)(triphenylphosphine)rhodium
(Acetylacetonato)carbonyl(triphenylphosphine)rhodium
Identifiers:
SMILES:
CC(=O)[CH-]C(C)=O.[C-]#[O+].[Rh+].c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChI:
InChI=1S/C18H15P.C5H7O2.CO.Rh/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-4(6)3-5(2)7;1-2;/h1-15H;3H,1-2H3;;/q;-1;;+1
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 | 492.32 g/mol | CAS Common Chemistry |
| 492.3170000000001 g/mol | RDKit | |
| 492.036160194 g/mol | RDKit | |
| Canonical SMILES | O#C[Rh+]1(O=C([CH-]C(=O1)C)C)[P](C=2C=CC=CC2)(C=3C=CC=CC3)C=4C=CC=CC4 | CAS Common Chemistry |
| InChI | InChI=1S/C18H15P.C5H7O2.CO.Rh/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-4(6)3-5(2)7;1-2;/h1-15H;3H,1-2H3;;/q;-1;;+1 | CAS Common Chemistry |
| InChI Key | InChIKey=SKPFMLWLXCIRHL-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | (SP-4-2)-Carbonyl(2,4-pentanedionato-κO2,κO4)(triphenylphosphine)rhodium | CAS Common Chemistry |
| Heavy Atom Count | 29 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 54.04 Ų | RDKit |
| LogP | 3.773480000000003 | RDKit |
| Molar Refractivity | 114.73950000000002 | RDKit |
