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2-Naphthyl Myristate
CAS: 7262-80-8 | C24H34O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
7262-80-8
Molecular Formula:
C24H34O2
Molecular Mass:
354.53 g/mol
Names and Synonyms:
2-Naphthyl Myristate
Tetradecanoic acid, 2-naphthalenyl ester
Myristic acid, 2-naphthyl ester
β-Naphthyl myristate
2-Naphthalenyl tetradecanoate
NSC 122046
2-Naphthyl myristate
Identifiers:
SMILES:
CCCCCCCCCCCCCC(=O)Oc1ccc2ccccc2c1
InChI:
InChI=1S/C24H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-17-24(25)26-23-19-18-21-15-13-14-16-22(21)20-23/h13-16,18-20H,2-12,17H2,1H3
Key Properties
Melting Point
64-65 °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 | 354.53 g/mol | CAS Common Chemistry |
| 354.534 g/mol | RDKit | |
| 354.255880328 g/mol | RDKit | |
| Canonical SMILES | O=C(OC=1C=CC=2C=CC=CC2C1)CCCCCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C24H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-17-24(25)26-23-19-18-21-15-13-14-16-22(21)20-23/h13-16,18-20H,2-12,17H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=SKRXBZIJSNMVFA-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 64-65 °C | CAS Common Chemistry |
| Name | 2-Naphthyl myristate | CAS Common Chemistry |
| Heavy Atom Count | 26 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 13 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 26.3 Ų | RDKit |
| LogP | 7.446300000000007 | RDKit |
| Molar Refractivity | 110.66100000000009 | RDKit |
