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2,2'-m-PHENYLENEBIS[3-BENZOYLPROPIONITRILE], HEMIHYDRATE

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2,2'-m-PHENYLENEBIS[3-BENZOYLPROPIONITRILE], HEMIHYDRATE
SpectraBase Compound ID E6VtNefKDqJ
InChI InChI=1S/2C26H20N2O2.H2O/c2*27-17-23(15-25(29)19-8-3-1-4-9-19)21-12-7-13-22(14-21)24(18-28)16-26(30)20-10-5-2-6-11-20;/h2*1-14,23-24H,15-16H2;1H2
InChIKey HMIKUSRQQXQNPC-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 E9lHui8FTws
Name 2,2'-m-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)19-8-3-1-4-9-19)21-12-7-13-22(14-21)24(18-28)16-26(30)20-10-5-2-6-11-20;/h2*1-14,23-24H,15-16H2;1H2
InChIKey HMIKUSRQQXQNPC-UHFFFAOYSA-N
Literature Reference Abstract-Chemical Abstracts= 53, 11031(1959)
Melting Point 152C
Molecular Weight 802.931030
Synonyms PROPIONITRILE, 2,2PR-/M-PHENYLENE/- DI-/3-BENZOYL-, HEMIHYDRATE
Technique KBr WAFER