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Tris(2-Butoxyethyl) Phosphite
CAS: 2718-67-4 | C18H39O6P
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2718-67-4
Molecular Formula:
C18H39O6P
Molecular Mass:
382.48 g/mol
Names and Synonyms:
Tris(2-Butoxyethyl) Phosphite
Ethanol, 2-butoxy-, phosphite (3:1)
Ethanol, 2-butoxy-, phosphite
Tris(2-butoxyethyl) phosphite
NSC 407906
Identifiers:
SMILES:
CCCCOCCOP(OCCOCCCC)OCCOCCCC
InChI:
InChI=1S/C18H39O6P/c1-4-7-10-19-13-16-22-25(23-17-14-20-11-8-5-2)24-18-15-21-12-9-6-3/h4-18H2,1-3H3
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 | 382.48 g/mol | CAS Common Chemistry |
| 382.47800000000024 g/mol | RDKit | |
| 382.24842559800004 g/mol | RDKit | |
| Canonical SMILES | O(P(OCCOCCCC)OCCOCCCC)CCOCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C18H39O6P/c1-4-7-10-19-13-16-22-25(23-17-14-20-11-8-5-2)24-18-15-21-12-9-6-3/h4-18H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=URRFGQHFJDWCFM-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Tris(2-butoxyethyl) phosphite | CAS Common Chemistry |
| Heavy Atom Count | 25 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 21 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 55.38000000000001 Ų | RDKit |
| LogP | 4.713200000000005 | RDKit |
| Molar Refractivity | 101.9570000000001 | RDKit |
