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Predicted properties of the compound entered.

ID AATUIYQTIDUMAT-DIVCQZSQSA-N
Formula C26H34O5
IUPAC Name 2-oxo-3-(2,4,6-trimethylphenyl)-1,9-dioxadispiro[4.2.4^{8}.2^{5}]tetradec-3-en-4-yl 2,2-dimethylpropanoate
SMILES
Standard InChI
Standard InChIKey
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Other Names and Identifiers
Standard InChI (User Input) InChI=1S/C26H34O5/c1-16-14-17(2)19(18(3)15-16)20-21(30-23(28)24(4,5)6)26(31-22(20)27)11-9-25(10-12-26)8-7-13-29-25/h14-15H,7-13H2,1-6H3/t25-,26-
Standard InChIKey (User Input) InChIKey=AATUIYQTIDUMAT-DIVCQZSQSA-N
Non-Standard InChI
Non-Standard InChIKey
Other Names and Identifiers
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Mol-Instincts Database
 
Property Value Unit Accuracy
Absolute Entropy of Ideal Gas at 298.15K and 1bar - - -
Acentric Factor - - -
Critical Compressibility Factor - - -
Critical Pressure - - -
Critical Temperature - - -
Critical Volume - - -
Enthalpy of Formation for Ideal Gas at 298.15K - - -
Liquid Molar Volume at 298.15K - - -
Molecular Weight - - -
Net Standard State Enthalpy of Combustion at 298.15K - - -
Normal Boiling Point - - -
Melting Point - - -
Refractive Index - - -
Solubility Parameter at 298.15K - - -
Standard State Absolute Entropy at 298.15K and 1bar - - -
Standard State Enthalpy of Formation at 298.15K and 1bar - - -
Magnetic Susceptibility - - -
Polarizability - - -
Flash Point - - -
Parachor - - -
Lower Flammability Limit Temperature - - -
Lower Flammability Limit Volume Percent - - -
Upper Flammability Limit Temperature - - -
Upper Flammability Limit Volume Percent - - -
Liquid Density at Normal Boiling Point - - -
Heat of Vaporization at 298.15K - - -
Heat of Vaporization at Normal Boiling Point - - -
Water Solubility - - -
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13C NMR prediction -
COSY -
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