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Diphenylglyoxime
CAS: 23873-81-6 | C14H12N2O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
23873-81-6
Molecular Formula:
C14H12N2O2
Molecular Mass:
240.26 g/mol
Names and Synonyms:
Diphenylglyoxime
1,2-Ethanedione, 1,2-diphenyl-, 1,2-dioxime
Benzil, dioxime
Ethanedione, diphenyl-, dioxime
Glyoxime, diphenyl-
Benzil oxime
Diphenylglyoxime
Dibenzoyl dioxime
NSC 4042
Identifiers:
SMILES:
ON=C(C(=NO)c1ccccc1)c1ccccc1
InChI:
InChI=1S/C14H12N2O2/c17-15-13(11-7-3-1-4-8-11)14(16-18)12-9-5-2-6-10-12/h1-10,17-18H
Key Properties
Melting Point
240 °C
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 | 240.26 g/mol | CAS Common Chemistry |
| 240.26200000000003 g/mol | RDKit | |
| 240.089877624 g/mol | RDKit | |
| Canonical SMILES | ON=C(C=1C=CC=CC1)C(=NO)C=2C=CC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C14H12N2O2/c17-15-13(11-7-3-1-4-8-11)14(16-18)12-9-5-2-6-10-12/h1-10,17-18H | CAS Common Chemistry |
| InChI Key | InChIKey=JJZONEUCDUQVGR-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 240 °C | CAS Common Chemistry |
| Name | Diphenylglyoxime | CAS Common Chemistry |
| Heavy Atom Count | 18 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 65.18 Ų | RDKit |
| LogP | 2.743400000000001 | RDKit |
| Molar Refractivity | 69.53100000000002 | RDKit |
