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alpha-(1,4-dihydro-2,4-dioxo-2H-3,1-benzoxazin-1-yl)-o-tolunitrile
SpectraBase Compound ID 9TkxOof3oc1
InChI InChI=1S/C16H10N2O3/c17-9-11-5-1-2-6-12(11)10-18-14-8-4-3-7-13(14)15(19)21-16(18)20/h1-8H,10H2
InChIKey QTPOGNBJFIMCEU-UHFFFAOYSA-N
Mol Weight 278.27 g/mol
Molecular Formula C16H10N2O3
Exact Mass 278.069142 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 4GS4jp4ERde
Name alpha-(1,4-DIHYDRO-2,4-DIOXO-2H-3,1-BENZOXAZIN-1-YL)-o-TOLUNITRILE
Source of Sample G. M. Coppola, Sandoz, Inc., East Hanover, New Jersey
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H10N2O3
InChI InChI=1S/C16H10N2O3/c17-9-11-5-1-2-6-12(11)10-18-14-8-4-3-7-13(14)15(19)21-16(18)20/h1-8H,10H2
InChIKey QTPOGNBJFIMCEU-UHFFFAOYSA-N
Literature Reference J. HETEROCYCLIC CHEM. 12, 565(1975)
Melting Point 184-187C
Molecular Weight 278.266998
Synonyms O-TOLUNITRILE, A-/1,4-DIHYDRO-2,4-DI- OXO-2H-3,1-BENZOXAZIN-1-YL/-,
Technique FILM (CAST FROM CHCl3)