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2,2'-p-phenylenebis[3-benzoylpropionitrile], hemihydrate

View entire compound with spectra: 1 FTIR, and 1 UV-Vis

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

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID F4QefKkRpmL
Name 2,2'-p-PHENYLENEBIS[3-BENZOYLPROPIONITRILE], HEMIHYDRATE
Source of Sample B. Betts, Polytechnic, London, England
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C52H42N4O5
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
Literature Reference Abstract-Chemical Abstracts= 53, 11031(1959)
Melting Point 228C
Molecular Weight 802.931030
Synonyms PROPIONITRILE, 2,2PR-/P-PHENYLENE/- DI-/3-BENZOYL-, HEMIHYDRATE
Technique KBr WAFER