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2-phenyl-4H-3,1-benzoxazin-4-one

View entire compound with spectra: 8 NMR, 3 FTIR, and 15 MS (GC)

2-phenyl-4H-3,1-benzoxazin-4-one
SpectraBase Compound ID I77cHDbrajp
InChI InChI=1S/C14H9NO2/c16-14-11-8-4-5-9-12(11)15-13(17-14)10-6-2-1-3-7-10/h1-9H
InChIKey HTTLBYITFHMYFK-UHFFFAOYSA-N
Mol Weight 223.23 g/mol
Molecular Formula C14H9NO2
Exact Mass 223.063329 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 99kT4y0SnmW
Name 2-Phenyl-4H-3,1-benzoxazin-4-one
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 361364
CAS Registry Number 1022-46-4
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H9NO2
InChI InChI=1S/C14H9NO2/c16-14-11-8-4-5-9-12(11)15-13(17-14)10-6-2-1-3-7-10/h1-9H
InChIKey HTTLBYITFHMYFK-UHFFFAOYSA-N
Observed nucleus 13C
Purity 98%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms 2-Phenyl-3,1-benzoxazin-4-one, Bentranil
Wiley ID SIAL_13CNMR_007513