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1-(4-hydroxy-2-butynyl)-2H-3,1-benzoxazine-2,4(1H)-dione, acetate (ester)

View entire compound with spectra: 2 NMR, and 1 FTIR

1-(4-hydroxy-2-butynyl)-2H-3,1-benzoxazine-2,4(1H)-dione, acetate (ester)
SpectraBase Compound ID 8dXwUr74hEC
InChI InChI=1S/C14H11NO5/c1-10(16)19-9-5-4-8-15-12-7-3-2-6-11(12)13(17)20-14(15)18/h2-3,6-7H,8-9H2,1H3
InChIKey XUGUAZWDRNAWIC-UHFFFAOYSA-N
Mol Weight 273.24 g/mol
Molecular Formula C14H11NO5
Exact Mass 273.063722 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID HkU9J1xG7KO
Name 1-(4-HYDROXY-2-BUTYNYL)-2H-3,1-BENZOXAZINE-2,4(1H)-DIONE, ACETATE (ESTER)
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 C14H11NO5
InChI InChI=1S/C14H11NO5/c1-10(16)19-9-5-4-8-15-12-7-3-2-6-11(12)13(17)20-14(15)18/h2-3,6-7H,8-9H2,1H3
InChIKey XUGUAZWDRNAWIC-UHFFFAOYSA-N
Literature Reference J. HETEROCYCLIC CHEM. 12, 565(1975)
Melting Point 122-124C
Molecular Weight 273.243988
Synonyms BENZOXAZINE-2,4/1H/-DIONE, 2H-3,1-, 1-/4-HYDROXY-2-BUTYNYL/-, ACETATE /ESTER/
Technique FILM (CAST FROM CHCl3)