![2,2'-p-phenylenebis[3-benzoylpropionitrile], hemihydrate](/api/spectrum/4cVyhtVeINE/structure.png?h=300&w=458 "2,2'-p-phenylenebis[3-benzoylpropionitrile], hemihydrate")
| SpectraBase Compound ID | 9yB9maMDUmW |
|---|---|
| InChI | InChI=1S/2C26H20N2O2.H2O/c2*27-17-23(15-25(29)21-7-3-1-4-8-21)19-11-13-20(14-12-19)24(18-28)16-26(30)22-9-5-2-6-10-22;/h2*1-14,23-24H,15-16H2;1H2 |
| InChIKey | ABACOMBSVVGOAU-UHFFFAOYSA-N |
| Mol Weight | 401.466 g/mol |
| Molecular Formula | C26H20N2O2·½H2O |
| Exact Mass | 401.15776 g/mol |
Ultraviolet-Visible (UV-Vis) Spectrum
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| SpectraBase Spectrum ID | 4cVyhtVeINE |
|---|---|
| Name | 2,2'-p-phenylenebis[3-benzoylpropionitrile], hemihydrate |
| Conditions | Neutral |
| Copyright | Copyright © 2008-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C26H22N2O3 |
| InChI | InChI=1S/2C26H20N2O2.H2O/c2*27-17-23(15-25(29)21-7-3-1-4-8-21)19-11-13-20(14-12-19)24(18-28)16-26(30)22-9-5-2-6-10-22;/h2*1-14,23-24H,15-16H2;1H2 |
| InChIKey | ABACOMBSVVGOAU-UHFFFAOYSA-N |
| Sadtler IR Number | 17247 |
| Sadtler UV Number | 7286N |
| Solvent | Methanol |