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Anthracene-D10
CAS: 1719-06-8 | C14H10
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1719-06-8
Molecular Formula:
C14H10
Molecular Mass:
188.30 g/mol
Names and Synonyms:
Anthracene-D10
Anthracene-1,2,3,4,5,6,7,8,9,10-d10
Anthracene-d10
Perdeuterioanthracene
Perdeuteroanthracene
Perdeuterated anthracene
1,2,3,4,5,6,7,8,9,10-Decadeuterioanthracene
Identifiers:
SMILES:
[2H]c1c([2H])c([2H])c2c([2H])c3c([2H])c([2H])c([2H])c([2H])c3c([2H])c2c1[2H]
InChI:
InChI=1S/C14H10/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1/h1-10H/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D
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 | 188.30 g/mol | CAS Common Chemistry |
| 188.29501777999994 g/mol | RDKit | |
| 188.14101777999997 g/mol | RDKit | |
| Canonical SMILES | C=1C=CC=2C=C3C=CC=CC3=CC2C1 | CAS Common Chemistry |
| InChI | InChI=1S/C14H10/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1/h1-10H/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D | CAS Common Chemistry |
| InChI Key | InChIKey=MWPLVEDNUUSJAV-LHNTUAQVSA-N | CAS Common Chemistry |
| Name | Anthracene-d10 | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 3.9930000000000003 | RDKit |
| Molar Refractivity | 61.454000000000015 | RDKit |
